SCHEMBL6829429

SCHEMBL6829429

COc1c(C2CCN(C(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 5/20 0.41
PIK3CD O00329 1/20 0.40
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 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
SCHEMBL6829470 0.94 RBP4 (0.44) RBP4MAPTMAPK1TDP1KMT2A
SCHEMBL9671327 0.80 HPGDS (0.44) RBP4PIK3CDMAPTKMT2AMEN1
SCHEMBL2274616 0.77 MEN1 (0.60) RBP4MAPTKMT2AMEN1ALDH1A1
SCHEMBL6827316 0.77 MAPK1 (0.44) MAPTMAPK1KMT2AALDH1A1
SCHEMBL6827413 0.77 MAPT (0.42) MAPTMAPK1TDP1KDM4EKMT2A
SCHEMBL28092503 0.76 TDP1 (0.46) MAPTMAPK1TDP1KDM4EKMT2A
SCHEMBL8305045 0.75 RBP4 (0.50) RBP4KMT2AMEN1
SCHEMBL10491630 0.73 ALDH1A1 (0.41) PIK3CDMAPTKMT2AALDH1A1
SCHEMBL10491617 0.73 ALDH1A1 (0.41) PIK3CDMAPTKMT2AALDH1A1
SCHEMBL9827862 0.72 ALDH1A1 (0.49) PIK3CDALDH1A1

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-2004010943-A2 SUBSTITUTED BENZANILIDES AS MODULATORS OF THE CCR5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed