SCHEMBL16748191

SCHEMBL16748191

Nc1c([N+](=O)[O-])cnc2ccc(Cl)nc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
TXNRD1 Q16881 3/20 0.40
ALDH1A1 P00352 1/20 0.40
PIN1 Q13526 6/20 0.39
DHFR P00374 1/20 0.37
FGFR4 P22455 4/20 0.37
RPS6KB2 Q9UBS0 2/20 0.37
MERTK Q12866 1/20 0.37
GSR P00390 2/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL796918 0.84 TXNRD1 (0.39) MAPTTXNRD1PIN1FGFR4RPS6KB2
SCHEMBL796948 0.82 MAPT (0.43) MAPTTXNRD1ALDH1A1PIN1FGFR4
SCHEMBL203781 0.75 PDE10A (0.50) MAPTALDH1A1POLBTDP1L3MBTL1
SCHEMBL23878654 0.74 MERTK (0.40) MAPTPIN1FGFR4RPS6KB2MERTK
SCHEMBL18658901 0.73 NR4A2 (0.45) MAPT
SCHEMBL30775559 0.72 PIK3CD (0.35) MAPT
SCHEMBL110092 0.70 MAPT (0.47) MAPTTXNRD1ALDH1A1DHFRFGFR4
SCHEMBL29677457 0.70 MAPT (0.47) MAPTTXNRD1ALDH1A1DHFRFGFR4
SCHEMBL31458500 0.69 MEN1 (0.50) MAPTALDH1A1POLBTDP1L3MBTL1
SCHEMBL9499655 0.69 MEN1 (0.50) MAPTALDH1A1POLBTDP1L3MBTL1

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-2015074516-A1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF 北京富龙康泰生物技术有限公司 2015-05-28 WO disclosed