SCHEMBL5076274

SCHEMBL5076274

CC(c1cc2ccccc2[nH]1)N(C)C(=O)/C=C/c1cnc2c(c1)CN(CCN1CCOCC1)C(=O)N2

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5076277 1.00 PDGFRB (0.38) PDGFRBPDGFRAKDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL1254455 0.99 PDGFRB (0.37) PDGFRBPDGFRAKDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL1254454 0.99 PDGFRB (0.37) PDGFRBPDGFRAKDM4EALDH1A1HSD17B10
SCHEMBL1253333 0.89 ALOX5 (0.36) ALDH1A1
SCHEMBL1253332 0.89 ALOX5 (0.36) ALDH1A1
SCHEMBL1253275 0.86 ALOX5 (0.37)
SCHEMBL1253271 0.86 ALOX5 (0.37)
SCHEMBL726211 0.86 HPGD (0.42)
SCHEMBL726213 0.86 HPGD (0.42)
SCHEMBL5079829 0.85 KDR (0.36)

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
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP claimed