SCHEMBL8317037

SCHEMBL8317037

COC(=O)c1n[nH]c(NC(=O)c2n[nH]c(N)c2C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
KDM4E B2RXH2 1/20 0.36
STAT3 P40763 1/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 1/20 0.36
FLT3 P36888 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
KIT P10721 5/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 2/20 0.32
GFER P55789 1/20 0.32
MAPK1 P28482 1/20 0.30
CDK2 P24941 1/20 0.30
CSNK2A1 P68400 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL11089588 0.86 KDM4C (0.50) KDM4CKDM4ESTAT3HIF1ATSHR
SCHEMBL1009945 0.71 KDM4C (0.52) KDM4CKDM4ESTAT3HIF1ATSHR
SCHEMBL11093184 0.70 ALDH1A1 (0.50) KDM4EALDH1A1GAAHPGDALOX15
SCHEMBL8318770 0.70 HCAR2 (0.44) KDM4EFLT3ALDH1A1KITALOX15
SCHEMBL11094727 0.69 ALDH1A1 (0.41) KDM4ETSHRALDH1A1GAAHPGD
SCHEMBL16453474 0.69 KDM4C (0.53) KDM4CKDM4ESTAT3HIF1ANPSR1
SCHEMBL4714263 0.68 KDM4C (0.49) KDM4CKDM4ESTAT3HIF1ATSHR
SCHEMBL22424292 0.68 KDM4C (0.49) KDM4CKDM4ESTAT3HIF1ATSHR
SCHEMBL9213204 0.68 KDM4C (0.56) KDM4CKDM4ESTAT3HIF1ATSHR
SCHEMBL12263262 0.67 HCAR2 (0.55) TSHR

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-0938474-A2 CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-09-01 EP disclosed
WO-1998011101-A2 CONDENSED N-ACLYINDOLES AS ANTITUMOR AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-03-19 WO disclosed