SCHEMBL9010845

SCHEMBL9010845

OC(=S)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CTSD P07339 1/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
ALPL P05186 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5052358 0.78 CTSD (0.46) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL11495804 0.76 L3MBTL1 (0.43) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL11533456 0.76 L3MBTL1 (0.54) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL17600356 0.75 TDP1 (0.52) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL24445380 0.74 LMNA (0.56) L3MBTL1TSHRALDH1A1CYP2D6SRC
SCHEMBL29392498 0.74 LMNA (0.56) L3MBTL1TSHRALDH1A1CYP2D6SRC
SCHEMBL4020057 0.74 L3MBTL1 (0.52) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL5565864 0.72 KMT2A (0.47) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL3448887 0.72 L3MBTL1 (0.56) L3MBTL1TDP1HDAC3HDAC4HDAC1
SCHEMBL8974408 0.72 DPP4 (0.50) ALDH1A1DPP4F2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4707480-A DI-N-SUBSTITUTED AMINO ETHYL ESTERS OF DIPHENYLTHIOACETIC ACID UNITED PHARMACEUTICALS, INC. (US) 1987-11-17 US claimed
EP-0102554-B1 COMPOUNDS FOR DILATING THE SMOOTH MUSCLES OF THE UPPER URINARY TRACT United Pharmaceuticals, Inc. (US) 1987-04-29 EP claimed
EP-0125508-B1 METHOD FOR STABILIZING A DETRUSOR MUSCLE WHILE INCREASING DETRUSOR MUSCLE STRENGTH United Pharmaceuticals, Inc. (US) 1986-10-15 EP claimed
EP-0125508-A1 Method for stabilizing a detrusor muscle while increasing detrusor muscle strength United Pharmaceuticals, Inc. (US) 1984-11-21 EP claimed
EP-0102554-A1 Compounds for dilating the smooth muscles of the upper urinary tract United Pharmaceuticals, Inc. (US) 1984-03-14 EP claimed
US-4432977-A Method for dilating the smooth muscles of the upper urinary tract WILLIAM P. POYTHRESS & COMPANY (US) 1984-02-21 US claimed
CN-115698292-A Aptamers binding to thiamine analogs and derivatives 梅里特斯英国第二有限公司 2023-02-03 CN disclosed
CN-108129370-B P2Y12 receptor antagonist with nitrile diphenyl thioacetic acid structure and application thereof 天津小新医药科技有限公司 2021-06-29 CN disclosed
CN-108129370-B P2Y12 receptor antagonist with nitrile diphenyl thioacetic acid structure and application thereof 天津小新医药科技有限公司 2021-06-29 CN disclosed
CN-108191722-B P2Y12 receptor antagonist with halogenated diphenyl thioacetic acid structure and application thereof 天津小新医药科技有限公司 2021-06-29 CN disclosed
CN-108129369-B Diphenyl thioacetic acid of P2Y12 receptor antagonist, preparation method and application thereof 天津小新医药科技有限公司 2021-06-29 CN disclosed
CN-108191722-B P2Y12 receptor antagonist with halogenated diphenyl thioacetic acid structure and application thereof 天津小新医药科技有限公司 2021-06-29 CN disclosed
CN-108191722-B P2Y12 receptor antagonist with halogenated diphenyl thioacetic acid structure and application thereof 天津小新医药科技有限公司 2021-06-29 CN disclosed
EP-0125508-A1 Method for stabilizing a detrusor muscle while increasing detrusor muscle strength United Pharmaceuticals, Inc. (US) 1984-11-21 EP disclosed
EP-0125508-A1 Method for stabilizing a detrusor muscle while increasing detrusor muscle strength United Pharmaceuticals, Inc. (US) 1984-11-21 EP disclosed
EP-0102554-A1 Compounds for dilating the smooth muscles of the upper urinary tract United Pharmaceuticals, Inc. (US) 1984-03-14 EP disclosed
EP-0102554-A1 Compounds for dilating the smooth muscles of the upper urinary tract United Pharmaceuticals, Inc. (US) 1984-03-14 EP disclosed
US-4432977-A Method for dilating the smooth muscles of the upper urinary tract WILLIAM P. POYTHRESS & COMPANY (US) 1984-02-21 US disclosed
US-4432977-A Method for dilating the smooth muscles of the upper urinary tract WILLIAM P. POYTHRESS & COMPANY (US) 1984-02-21 US disclosed
US-4368327-A REACTION OF CORRESPONDING FURANONE WITH SALT OF THIOCARBOXYLIC ACID CIBA-GEIGY CORPORATION (US) 1983-01-11 US disclosed