SCHEMBL6599982

SCHEMBL6599982

O=CN(c1ccc(Cl)cc1)c1n[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
GAA P10253 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 1/20 0.38
PDPK1 O15530 1/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
IDO1 P14902 2/20 0.36
FADS1 O60427 1/20 0.36
MAPK10 P53779 2/20 0.36
ALPL P05186 1/20 0.36
HPGD P15428 1/20 0.36
TTK P33981 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
SCHEMBL6595697 0.86 FLT3 (0.43) GAARAB9AMEN1KMT2AKDM4E
SCHEMBL6601877 0.81 MAPT (0.44) GAARAB9AMEN1KMT2AKDM4E
SCHEMBL6598902 0.79 GAA (0.39) TRPA1GAARAB9AMEN1KMT2A
SCHEMBL628902 0.79 KDM4E (0.39) TRPA1GAARAB9AMEN1KMT2A
SCHEMBL6610162 0.76 MAPT (0.43) TRPA1GAAMEN1KMT2ALMNA
SCHEMBL6599003 0.76 MAPT (0.45) TRPA1MEN1KMT2ACYP3A4LMNA
SCHEMBL6597125 0.74 KDM4E (0.45) GAARAB9AKDM4EALDH1A1NPC1
SCHEMBL6597236 0.74 KDM4E (0.38) GAARAB9AMEN1KMT2AKDM4E
SCHEMBL28869065 0.70 TSHR (0.42) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6602000 0.70 NOS1 (0.43) GAARAB9AMEN1KMT2AKDM4E

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
EP-1432416-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pharmacia Italia S.p.A. (IT) 2004-06-30 EP disclosed
WO-2003028720-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-04-10 WO disclosed