SCHEMBL7996943

SCHEMBL7996943

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
HSD17B10 Q99714 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MAPT P10636 6/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 2/20 0.58
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.54
TP53 P04637 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL21870336 0.89 POLB (0.68) SMN1; SMN2HSD17B10NPSR1MAPTNPC1
SCHEMBL2908895 0.84 MAPT (0.62) SMN1; SMN2HSD17B10MAPTNPC1RAB9A
SCHEMBL17744840 0.84 SMN1; SMN2 (0.71) SMN1; SMN2HSD17B10NPSR1MAPTNPC1
SCHEMBL9789598 0.83 ALDH1A1 (0.68) SMN1; SMN2HSD17B10NPSR1MAPTNPC1
SCHEMBL30288146 0.82 POLB (0.77) SMN1; SMN2HSD17B10MAPTNPC1RAB9A
SCHEMBL11769542 0.82 POLB (0.77) SMN1; SMN2HSD17B10MAPTNPC1RAB9A
SCHEMBL8870656 0.81 MAPT (0.56) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL16274153 0.81 SMN1; SMN2 (0.56) SMN1; SMN2HSD17B10NPSR1MAPTNPC1
SCHEMBL8522632 0.80 HDAC1 (0.72) SMN1; SMN2HSD17B10NPSR1MAPTNPC1
SCHEMBL2560246 0.79 MAPT (0.55) SMN1; SMN2HSD17B10MAPTNPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817629-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-03-08 EP disclosed
EP-0817629-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP disclosed
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