SCHEMBL27650930

SCHEMBL27650930

Cc1cc(NC(=O)C(C)(O)CBr)ccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.72
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
PGR P06401 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL2765554 1.00 AR (0.72) ARALDH1A1MEN1MAPTRAB9A
SCHEMBL14522367 0.88 AR (0.57) ARALDH1A1MEN1MAPTRAB9A
SCHEMBL15304162 0.88 AR (0.57) ARALDH1A1MEN1MAPTRAB9A
SCHEMBL2769356 0.86 AR (0.55) ARALDH1A1MEN1MAPTRAB9A
SCHEMBL14036039 0.86 AR (0.55) ARALDH1A1MEN1MAPTRAB9A
SCHEMBL16471047 0.86 AR (0.55) ARALDH1A1MEN1MAPTRAB9A
SCHEMBL27630726 0.85 AR (0.69) ARALDH1A1MEN1MAPTRAB9A
SCHEMBL1124550 0.84 AR (1.00) ARPGRCYP3A4
SCHEMBL29504174 0.84 AR (1.00) ARPGRCYP3A4
SCHEMBL19741507 0.84 AR (1.00) ARPGRCYP3A4

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
CN-100462353-C Propionamide derivatives useful as androgen receptor modulators ORION CORP (FI) 2009-02-18 CN disclosed
CN-1812961-A Propionamide derivatives useful as androgen receptor modulators ORION CORP (FI) 2006-08-02 CN disclosed