SCHEMBL9307493

SCHEMBL9307493

COC(=O)Cc1ccc(C)c([N+](=O)[O-])c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.48
▸ FGFR1 P11362 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ FLT1 P17948 1/20 0.48
▸ FGFR3 P22607 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ HPGD P15428 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 5/20 0.40
▸ HTT P42858 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TSHR P16473 2/20 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
SCHEMBL10794534 0.75 PDGFRB (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28537310 0.75 ALDH1A1 (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL5748243 0.74 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1626207 0.74 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31001012 0.74 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL502591 0.74 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL30314841 0.72 PDGFRB (0.56) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL16619742 0.72 CYP1A2 (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL30684436 0.72 OPRK1 (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1613045 0.72 PDGFRB (0.56) PDGFRBFGFR1PDGFRAFLT1FGFR3

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-5374638-A Cardiovascular disorders, hypotensive agents MERCK & CO., INC. (US) 1994-12-20 — — US disclosed
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