SCHEMBL6889084

SCHEMBL6889084

Cc1cn(Cc2ccccc2)c(C(=O)O)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.60
PPARG P37231 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PLA2G2A P14555 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL6890070 0.87 AR (0.56) ARPPARGKDM4EALDH1A1MEN1
SCHEMBL6468106 0.87 AR (0.53) ARPPARGALDH1A1MEN1KMT2A
SCHEMBL2638817 0.86 NOTUM (0.48) ARKDM4EALDH1A1
SCHEMBL2637504 0.85 HPGD (0.47) ARKDM4EALDH1A1MEN1KMT2A
SCHEMBL2637458 0.84 NOTUM (0.43) ARKDM4EALDH1A1MEN1KMT2A
SCHEMBL15497073 0.83 PTGDR2 (0.45) KMT2A
SCHEMBL1030435 0.79 S1PR1 (0.43)
SCHEMBL6883054 0.76 MAPT (0.47) ARALDH1A1MEN1KMT2A
SCHEMBL6467007 0.75 AR (0.51) ARALDH1A1MEN1KMT2A
SCHEMBL6469722 0.75 AR (1.00) ARKDM4EPLA2G2AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP claimed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed