SCHEMBL27922656

SCHEMBL27922656

Nc1ccc(-c2nc(-c3cccnc3)cs2)c(N)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.64
AXL P30530 1/20 0.64
PBRM1 Q86U86 1/20 0.64
MKNK1 Q9BUB5 1/20 0.64
MKNK2 Q9HBH9 1/20 0.64
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
CYP1A1 P04798 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP1B1 Q16678 1/20 0.59
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP17A1 P05093 1/20 0.56
MAPT P10636 1/20 0.54

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
SCHEMBL207818 0.89 CYP19A1 (0.64) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL717060 0.87 CYP19A1 (0.66) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL17014792 0.85 CYP19A1 (0.70) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL719078 0.84 CYP19A1 (0.61) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL6798787 0.81 CYP19A1 (0.72) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL14320817 0.80 RAB9A (0.77) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL6196239 0.79 CYP19A1 (1.00) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL19051411 0.76 CYP19A1 (1.00) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL17014786 0.76 CYP19A1 (1.00) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL30128572 0.76 CYP19A1 (1.00) CYP19A1AXLPBRM1MKNK1MKNK2

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
CN-103130791-A Novel benzamides compound JIANGSU CHIA TAI TIANQING PHAR 2013-06-05 CN disclosed