SCHEMBL3386872

SCHEMBL3386872

COc1ccc(CC(=O)Nc2ccc(-c3ccc4c(C(=O)O)n[nH]c4c3)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
MAPT P10636 3/20 0.56
POLB P06746 1/20 0.56
HSD17B10 Q99714 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
EPHX2 P34913 1/20 0.55
BCHE P06276 2/20 0.52
ACHE P22303 2/20 0.52
NTRK1 P04629 1/20 0.51
NTRK2 Q16620 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL3384971 0.92 SMN1; SMN2 (0.58) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL3383018 0.90 NTRK1 (0.55) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL3384246 0.82 SMN1; SMN2 (0.56) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL3384808 0.76 PRKAA1 (0.53) KDM4EKMT2AMEN1LMNASMN1; SMN2
SCHEMBL2866772 0.74 EPHX2 (0.52) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL3382225 0.74 PRKAG1 (0.56) ALDH1A1HPGDMAPTPOLBHSD17B10
SCHEMBL3653095 0.74 EPHX2 (0.77) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL19427446 0.73 EPHX2 (0.80) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL921953 0.71 ALDH1A1 (0.59) KDM4EALDH1A1HPGDNPSR1MAPT
SCHEMBL29099829 0.70 KMT2A (0.70) KDM4EALDH1A1HPGDNPSR1MAPT

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