SCHEMBL3384971

SCHEMBL3384971

COc1ccc(CC(=O)Nc2cccc(-c3ccc4c(C(=O)O)n[nH]c4c3)c2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.58
LMNA P02545 7/20 0.58
NPSR1 Q6W5P4 4/20 0.58
HSD17B10 Q99714 4/20 0.58
MAPT P10636 4/20 0.58
TSHR P16473 3/20 0.58
MAPK1 P28482 3/20 0.58
HTT P42858 3/20 0.58
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
TP53 P04637 2/20 0.56
FBP1 P09467 2/20 0.56
USP2 O75604 1/20 0.56
HPGD P15428 2/20 0.54
STAT3 P40763 2/20 0.54
XBP1 P17861 1/20 0.54
HTR1E P28566 1/20 0.54
NTSR1 P30989 1/20 0.54
STAT1 P42224 1/20 0.54

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
SCHEMBL3386872 0.92 KDM4E (0.56) SMN1; SMN2LMNANPSR1HSD17B10MAPT
SCHEMBL3384246 0.90 SMN1; SMN2 (0.56) SMN1; SMN2LMNANPSR1HSD17B10MAPT
SCHEMBL3383018 0.82 NTRK1 (0.55) SMN1; SMN2LMNANPSR1HSD17B10MAPT
SCHEMBL6100814 0.74 SMN1; SMN2 (0.66) SMN1; SMN2LMNANPSR1HSD17B10MAPT
SCHEMBL3653095 0.74 EPHX2 (0.77) SMN1; SMN2LMNANPSR1HSD17B10MAPT
SCHEMBL6101644 0.73 SMN1; SMN2 (0.64) SMN1; SMN2LMNANPSR1HSD17B10MAPT
SCHEMBL4491590 0.73 HDAC1 (0.61) KDRHDAC1HDAC2HDAC8
SCHEMBL2866772 0.72 EPHX2 (0.52) SMN1; SMN2LMNANPSR1HSD17B10MAPT
SCHEMBL6101654 0.72 SMN1; SMN2 (0.63) SMN1; SMN2LMNANPSR1HSD17B10MAPT
SCHEMBL6100605 0.71 SMN1; SMN2 (0.62) SMN1; SMN2LMNANPSR1HSD17B10MAPT

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
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 WO claimed
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 WO disclosed