SCHEMBL6680293

SCHEMBL6680293

COc1ccc(C=CC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.71
ATM Q13315 1/20 0.71
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
ALDH1A1 P00352 3/20 0.68
AURKA O14965 8/20 0.63
MAPT P10636 2/20 0.59
TP53 P04637 1/20 0.59
NLRP3 Q96P20 1/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC2 Q92769 3/20 0.58
KDM4E B2RXH2 1/20 0.57
HPGD P15428 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CDK1 P06493 1/20 0.57
CDK4 P11802 1/20 0.57
CDK2 P24941 1/20 0.57
CDK7 P50613 1/20 0.57
CDK6 Q00534 1/20 0.57
CDK5 Q00535 1/20 0.57

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
SCHEMBL6691306 0.96 AURKA (0.66) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL6689594 0.95 L3MBTL1 (0.64) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL6688390 0.94 L3MBTL1 (0.62) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL6685302 0.90 L3MBTL1 (0.57) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL6687800 0.89 LMNA (0.59) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL6689634 0.89 MAPK1 (0.63) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL6689714 0.86 ALDH1A1 (0.54) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL6685576 0.86 ALDH1A1 (0.59) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL6681990 0.83 L3MBTL1 (1.00) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL6691516 0.81 MAPK1 (0.53) L3MBTL1ATMMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO claimed
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO disclosed