SCHEMBL8438754

SCHEMBL8438754

COc1ccccc1Cc1nc(CC(C)C(N)CO)no1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
MAPK1 P28482 4/20 0.49
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.36
PTK2 Q05397 1/20 0.34

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
Hydrochloric Acid SCHEMBL8437496 0.99 TSHR (0.48) TSHRMAPK1LMNAL3MBTL1TDP1
SCHEMBL8433423 0.81 TDP1 (0.45) TSHRMAPK1LMNAL3MBTL1TDP1
Hydrochloric Acid SCHEMBL8434788 0.80 TDP1 (0.44) TSHRMAPK1LMNAL3MBTL1TDP1
SCHEMBL8438546 0.80 SMN1; SMN2 (0.47) TSHRMAPK1LMNAL3MBTL1TDP1
Hydrochloric Acid SCHEMBL8437558 0.79 SMN1; SMN2 (0.46) TSHRMAPK1LMNAL3MBTL1TDP1
SCHEMBL8432986 0.78 TAAR1 (0.46) TSHRMAPK1LMNAL3MBTL1TDP1
Hydrochloric Acid SCHEMBL8435756 0.78 TAAR1 (0.45) TSHRMAPK1LMNAL3MBTL1TDP1
SCHEMBL8434782 0.76 CA1 (0.42) TSHRMAPK1LMNAL3MBTL1TDP1
SCHEMBL8433601 0.76 ALDH1A1 (0.35) LMNAL3MBTL1KDM4EMAPTALDH1A1
SCHEMBL8435676 0.74 L3MBTL1 (0.45) MAPK1LMNAL3MBTL1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874585-A TREATMENT AND/OR PREVENTION OF ELASTASE-MEDIATED PROBLEMS SUCH AS ARTHRITIS, PERIODONTAL DISEASE, GLOMERULONEPHRITIS, DERMATITIS, PSORIASIS, CYSTIC FIBROSIS, CHRONIC BRONCHITIS, ALZHEIMER'S DISEASE CORTECH, INC. (US) 1999-02-23 US disclosed