SCHEMBL3377229

SCHEMBL3377229

CC(=O)c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
NCOA1 Q15788 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
ALDH1A1 P00352 2/20 0.55

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
SCHEMBL394289 0.82 KCNMA1 (0.79) KCNMA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28069367 0.81 KCNMA1 (0.78) KCNMA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1963164 0.80 KMT2A (0.65) KCNMA1CRHBPCRHR2CYP1A2CYP3A4
SCHEMBL3414932 0.80 NPC1 (0.63) ABCG2KMT2AMEN1POLBGAA
SCHEMBL7161488 0.80 CRHBP (0.68) KCNMA1CRHBPCRHR2CYP1A2CYP3A4
SCHEMBL29506396 0.79 GPR35 (0.64) KCNMA1CRHBPCRHR2KMT2AMEN1
SCHEMBL312392 0.79 GPR35 (0.64) KCNMA1CRHBPCRHR2KMT2AMEN1
SCHEMBL7722700 0.79 ALDH1A1 (0.68) KCNMA1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4958325 0.79 KCNMA1 (0.64) KCNMA1CRHBPCRHR2CYP1A2CYP3A4
SCHEMBL4958316 0.79 KCNMA1 (0.64) KCNMA1CRHBPCRHR2CYP1A2CYP3A4

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
WO-2010002075-A1 METHODS FOR PREPARING AMIDE DERIVATIVES PHARMACOSTECH CO., LTD. (KR) 2010-01-07 WO disclosed
WO-2010002075-A1 METHODS FOR PREPARING AMIDE DERIVATIVES PHARMACOSTECH CO., LTD. (KR) 2010-01-07 WO disclosed