SCHEMBL7288340

SCHEMBL7288340

O=C(CCCCCCC1CNCCS1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.49
HDAC1 Q13547 8/20 0.48
HDAC8 Q9BY41 7/20 0.48
HDAC3 O15379 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL29121095 0.81 TDP1 (0.49) L3MBTL1TDP1LMNAKMT2ANCOR2
SCHEMBL7288334 0.77 L3MBTL1 (0.51) L3MBTL1TDP1LMNAMAPTHDAC1
SCHEMBL27516050 0.72 TDP1 (1.00) L3MBTL1TDP1LMNAMAPTKMT2A
SCHEMBL9057671 0.72 TDP1 (1.00) L3MBTL1TDP1LMNAMAPTKMT2A
SCHEMBL8519287 0.72 TDP1 (1.00) L3MBTL1TDP1LMNAMAPTKMT2A
SCHEMBL29121093 0.70 EPHX2 (0.38) L3MBTL1TDP1LMNAKMT2A
SCHEMBL7068671 0.70 TDP1 (0.95) L3MBTL1TDP1LMNAMAPTKMT2A
SCHEMBL9644840 0.70 KMT2A (0.49) L3MBTL1TDP1LMNAMAPTKMT2A
SCHEMBL9395430 0.70 L3MBTL1 (0.66) L3MBTL1TDP1LMNAMAPTKMT2A
SCHEMBL27793843 0.69 KMT2A (0.52) L3MBTL1TDP1LMNAMAPTKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
CN-1091288-A The oxytocin antagonist OTSUKA PHARMA CO LTD (JP) 1994-08-31 CN disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed