SCHEMBL22095307

SCHEMBL22095307

C/C(=N/Nc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.76
KMT2A Q03164 12/20 0.76
MEN1 O00255 10/20 0.76
GAA P10253 7/20 0.76
ALDH1A1 P00352 5/20 0.76
HTT P42858 3/20 0.76
GFER P55789 2/20 0.76
MAPK1 P28482 2/20 0.76
THRB P10828 3/20 0.74
NPC1 O15118 3/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
L3MBTL1 Q9Y468 3/20 0.74
KDM4E B2RXH2 1/20 0.74
ALOX12 P18054 1/20 0.74
ALPI P09923 1/20 0.68
RAB9A P51151 4/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
ALPG P10696 1/20 0.64

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
SCHEMBL22095308 1.00 MAPT (0.76) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL23928590 1.00 MAPT (0.76) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL9790530 0.94 KMT2A (0.76) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL13576573 0.92 MAPT (0.88) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL10172988 0.85 MAPT (0.77) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL4877431 0.84 MAPT (0.69) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL4877424 0.84 MAPT (0.69) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL15217655 0.82 MAPT (0.72) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL23928614 0.82 MAPT (1.00) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL31483978 0.82 MAPT (0.60) MAPTKMT2AMEN1GAAALDH1A1

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-2020123855-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2020-06-18 WO disclosed