SCHEMBL6685302

SCHEMBL6685302

COc1ccc(C=CC(=O)c2cn(-c3ccccc3)nc2-c2ccn(C)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
AURKA O14965 7/20 0.52
LMNA P02545 1/20 0.49
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
USP2 O75604 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CYP2C19 P33261 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL6680293 0.90 L3MBTL1 (0.71) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL6691306 0.86 AURKA (0.66) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL6688390 0.86 L3MBTL1 (0.62) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL6689594 0.85 L3MBTL1 (0.64) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL6689634 0.83 MAPK1 (0.63) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL6687800 0.83 LMNA (0.59) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL6685305 0.82 MEN1 (0.60) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL6685576 0.80 ALDH1A1 (0.59) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL6689714 0.80 ALDH1A1 (0.54) L3MBTL1ATMALDH1A1MEN1KMT2A
SCHEMBL6691516 0.76 MAPK1 (0.53) L3MBTL1ATMALDH1A1MEN1KMT2A

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