SCHEMBL8377609

SCHEMBL8377609

COc1ccc2c(c1)Sc1ccccc1C(=O)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 6/20 0.62
HPGD P15428 4/20 0.62
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
HTT P42858 3/20 0.52
BLM P54132 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
PTGS2 P35354 1/20 0.47
OPRK1 P41145 1/20 0.47
PDE4D Q08499 1/20 0.47
GAA P10253 3/20 0.46
NOX1 Q9Y5S8 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
METAP1 P53582 2/20 0.43

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
SCHEMBL5640862 0.86 KMT2A (0.63) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL11760978 0.82 HPGD (0.63) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL11762631 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL4480344 0.82 KMT2A (0.53) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL11488577 0.81 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL11758947 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL11346578 0.80 MAPK14 (0.43) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL3749553 0.78 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL11480319 0.78 HPGD (0.41) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL7092813 0.77 KDM4E (0.49) ALDH1A1KDM4EHPGDHTTL3MBTL1

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-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US disclosed