SCHEMBL11844643

SCHEMBL11844643

COc1ccc(Cl)nc1Cc1ccccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 1/20 0.39
NPBWR1 P48145 1/20 0.38
PLAU P00749 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL11832940 0.84 TLR8 (0.38) ALDH1A1PLAUMEN1NPC1RAB9A
SCHEMBL11833453 0.83 CYP19A1 (0.39) ALDH1A1NPBWR1PLAUL3MBTL1MAPK1
SCHEMBL11840151 0.82 ALDH1A1 (0.43) ALDH1A1PLAUHPGD
SCHEMBL11837367 0.82 TSHR (0.41) ALDH1A1TSHRNPBWR1PLAUKMT2A
SCHEMBL11840566 0.81 CYP19A1 (0.38) ALDH1A1NPBWR1PLAUL3MBTL1MAPK1
SCHEMBL11832742 0.79 CYP19A1 (0.36) ALDH1A1PLAUMEN1NPC1RAB9A
SCHEMBL11840001 0.76 TLR8 (0.40) ALDH1A1TSHRPLAUNPC1RAB9A
SCHEMBL11845478 0.76 AR (0.37) ALDH1A1PLAUKDM4EGAAMAPT
SCHEMBL11838169 0.74 TLR8 (0.39) ALDH1A1TSHRKDM4EGAAPOLB
SCHEMBL11833732 0.74 ALDH1A1 (0.43) ALDH1A1TSHRMEN1KMT2AKDM4E

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-3956344-A Process for the production of substituted 2-benzoylpyridines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-05-11 US disclosed