SCHEMBL8870656

SCHEMBL8870656

Cc1cccc(NC(=O)c2cccc(CN)c2)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ATM Q13315 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 2/20 0.54
CFD P00746 3/20 0.53
F11 P03951 1/20 0.53
TPSB2 P20231 1/20 0.53
SUCNR1 Q9BXA5 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
POLB P06746 2/20 0.50
TP53 P04637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL7994463 0.86 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2ATM
SCHEMBL7996943 0.81 SMN1; SMN2 (0.60) MAPTNPC1RAB9ASMN1; SMN2ATM
SCHEMBL2908895 0.80 MAPT (0.62) MAPTNPC1RAB9ASMN1; SMN2ATM
SCHEMBL3762348 0.80 HDAC1 (0.64) RAB9AKMT2AMEN1CFDF11
SCHEMBL11769542 0.79 POLB (0.77) MAPTNPC1RAB9ASMN1; SMN2ATM
SCHEMBL30288146 0.79 POLB (0.77) MAPTNPC1RAB9ASMN1; SMN2ATM
SCHEMBL7996862 0.78 FNTA (0.56) MAPTNPC1RAB9ASMN1; SMN2ATM
SCHEMBL7994759 0.78 FNTA (0.56) MAPTNPC1RAB9ASMN1; SMN2ATM
SCHEMBL15676741 0.77 POLB (0.64) MAPTNPC1RAB9ASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL8000351 0.77 FNTA (0.55) MAPTNPC1RAB9ASMN1; SMN2ATM

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
US-5631280-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1997-05-20 US disclosed
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed