SCHEMBL10272852

SCHEMBL10272852

COC(=O)Cc1cc([N+](=O)[O-])ccc1-c1cnccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP17A1 P05093 1/20 0.41
POLB P06746 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
ALPL P05186 1/20 0.38

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
SCHEMBL527341 0.82 CYP46A1 (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL10272847 0.81 CYP17A1 (0.41) ALDH1A1CYP17A1CYP11B1CYP11B2GLA
SCHEMBL502591 0.79 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL10273708 0.79 CYP17A1 (0.65) CYP17A1
SCHEMBL12797261 0.78 TDP1 (0.38) ALDH1A1CYP17A1POLBCYP19A1CYP11B1
SCHEMBL1626207 0.76 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31001012 0.76 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL527993 0.74 PDE4B (0.48) ALDH1A1CYP17A1POLBKMT2AMEN1
SCHEMBL2133926 0.73 CYP1A2 (0.68) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL29777188 0.73 CYP1A2 (0.68) 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
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 WO disclosed