SCHEMBL7222409

SCHEMBL7222409

Cc1c(-c2c[nH]c(NCc3ccc(Cl)cc3)n2)ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.39
NTRK1 P04629 1/20 0.39
LMNA P02545 1/20 0.38
TYMS P04818 1/20 0.38
PDE5A O76074 1/20 0.38
GPR39 O43194 1/20 0.38
MAPT P10636 1/20 0.38
EGFR P00533 1/20 0.38
FABP4 P15090 1/20 0.37
ACP1 P24666 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 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
SCHEMBL7215977 0.89 NTRK1 (0.39) APPNTRK1LMNAMAPTKMT2A
SCHEMBL7216330 0.85 CD38 (0.40) LMNAGPR39MAPTKMT2A
SCHEMBL7216137 0.79 PDE9A (0.37) PDE5AMAPTHSD17B10KMT2A
SCHEMBL7221634 0.78 ATP1A1 (0.37) KMT2ACDC7DBF4
SCHEMBL7215632 0.77 NPY5R (0.42) LMNATYMSPDE5AMAPTFABP4
SCHEMBL7215523 0.73 SOS1 (0.37) LMNAMAPTKMT2ASMN1; SMN2POLB
SCHEMBL7215731 0.73 KMT2A (0.35) LMNAMAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL7222469 0.68 CDK2 (0.34) LMNAMAPTKMT2APOLBCDC7
SCHEMBL7217987 0.67 CCNE2 (0.40) GPR39EGFRKMT2A
SCHEMBL3359902 0.67 MAPT (0.45) LMNAMAPTNPC1RAB9AKMT2A

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-6596739-B2 Anticarcinogenic agents, cardiovascular disorders and antiinflammatory agents THE PROCTER & GAMBLE COMPANY 2003-07-22 US claimed