SCHEMBL7417809

SCHEMBL7417809

CCc1c(C)[nH]c(-c2ccc(COS(C)(=O)=O)cc2)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
POLB P06746 2/20 0.35
PDE9A O76083 2/20 0.34
AKT1 P31749 1/20 0.33
MAPT P10636 1/20 0.33
STAT1 P42224 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM5A P29375 3/20 0.32
CYP1A2 P05177 1/20 0.32
FPR1 P21462 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL7419501 0.71 AGTR1 (0.42) ALDH1A1MAPTNPSR1LMNA
SCHEMBL6279539 0.70 UCHL1 (0.46) ALDH1A1HPGDAKT1CA1CA2
SCHEMBL7417812 0.70 AGTR1 (0.52)
SCHEMBL19845815 0.70 CA2 (0.52) KDM4EALDH1A1ALOX15AKT1CA1
SCHEMBL1979106 0.69 CYP2A6 (0.48) MAPTRAB9ACA1CA2CA9
SCHEMBL8872917 0.69 ESR2 (0.51) AKT1
SCHEMBL4662063 0.68 CA2 (0.50) KDM4EALDH1A1HPGDALOX15MAPT
SCHEMBL4952656 0.68 CA2 (0.58) KDM4EALDH1A1HPGDALOX15AKT1
SCHEMBL14125769 0.67 CA2 (0.61) ALDH1A1HPGDAKT1RAB9ACA1
SCHEMBL9042997 0.67 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993016071-A1 HETEROCYCLIC DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-19 WO disclosed