SCHEMBL2850378

SCHEMBL2850378

COc1cccc(OC)c1CNC(=O)c1cnn(C)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 3/20 0.46
HPGD P15428 3/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
ROCK2 O75116 6/20 0.44
ROCK1 Q13464 5/20 0.44
NR3C1 P04150 1/20 0.43
EED O75530 1/20 0.42
RBBP4 Q09028 1/20 0.42
SUZ12 Q15022 1/20 0.42
AEBP2 Q6ZN18 1/20 0.42
RECQL P46063 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RCE1 Q9Y256 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2856000 0.78 CCR1 (0.55) HPGDALDH1A1MAPTPOLBKDM4E
SCHEMBL2850622 0.75 ALDH1A1 (0.57) ALDH1A1MAPTPOLB
SCHEMBL2852975 0.74 CCR1 (0.55) HPGDALDH1A1MAPTPOLBNR3C1
SCHEMBL2853245 0.73 ALDH1A1 (0.68) HPGDALDH1A1MAPTPOLB
SCHEMBL6357279 0.73 HPGD (0.63) EZH2HPGDTP53GLAALDH1A1
SCHEMBL2855548 0.72 CCR1 (0.68) HPGDKMT2A
SCHEMBL23083259 0.72 SMN1; SMN2 (0.62) HPGDTP53GLAALDH1A1MAPT
SCHEMBL2852998 0.70 NPC1 (0.59) HPGDGLAALDH1A1MAPTKMT2A
SCHEMBL5723907 0.70 MTNR1A (0.56) ALDH1A1ROCK2
SCHEMBL9204354 0.70 CYP1A2 (0.44) HPGDGLAALDH1A1KMT2AKDM4E

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed