SCHEMBL9637462

SCHEMBL9637462

CCC(c1ccc(-c2ccccc2C#N)c(CCCl)c1)c1nc2cccc(C(=O)O)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.37
EIF4E P06730 1/20 0.36
CTSA P10619 1/20 0.33
EIF4EBP1 Q13541 2/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
APLNR P35414 2/20 0.31
KDM5B Q9UGL1 3/20 0.31
KDM5A P29375 2/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
GRM2 Q14416 1/20 0.31
PPARG P37231 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
SCHEMBL9637468 0.87 PARP1 (0.39) BRS3EIF4EKDM4E
SCHEMBL8868610 0.81 PARP1 (0.36) BRS3EIF4EEIF4EBP1KDM4E
SCHEMBL9493716 0.80 BRS3 (0.39) BRS3AGTR1AGTR2
SCHEMBL9638116 0.75 MLKL (0.45) APLNR
SCHEMBL9492707 0.74 APLNR (0.34) APLNRKDM4EMAPTHTT
SCHEMBL9492881 0.74 BRS3 (0.34) BRS3AGTR1AGTR2
SCHEMBL9491699 0.70 LMNA (0.35) APLNRKDM4EMAPTHTT
SCHEMBL9494117 0.69 KDM4E (0.38) APLNRKDM4EMAPT
SCHEMBL9491571 0.68 KDM4E (0.37) AGTR1AGTR2APLNRKDM5BKDM5A
SCHEMBL8476711 0.67 KDM4E (0.39) BRS3KDM4EMAPTHTTPPARG

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
US-5128356-A Angiotensin antagonist; cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-07-07 US disclosed