SCHEMBL7960334

SCHEMBL7960334

Cn1nc(-c2ccc(Cl)cc2)c(O)c1-c1nc2ccc(N)cc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.62
KMT2A Q03164 9/20 0.62
GAA P10253 9/20 0.62
ALDH1A1 P00352 8/20 0.62
MAPT P10636 8/20 0.62
KDM4E B2RXH2 7/20 0.62
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
HPGD P15428 6/20 0.62
TP53 P04637 3/20 0.62
HSD17B10 Q99714 3/20 0.62
NFKB1 P19838 2/20 0.62
APP P05067 1/20 0.62
SNCA P37840 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
MCL1 Q07820 1/20 0.62
RXFP1 Q9HBX9 3/20 0.51
CACNA1B Q00975 2/20 0.51

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
SCHEMBL10139885 0.89 MAPT (0.60) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL7971481 0.86 HIF1A (0.46) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL10139883 0.85 CHEK2 (0.65) MEN1KMT2ATHRBCHEK2
SCHEMBL10139878 0.84 CHEK2 (0.65) MEN1KMT2AMAPTTHRBTDP1
SCHEMBL10140455 0.84 AMY1A (0.44) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL7971500 0.84 PTGDR2 (0.49) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL10139961 0.80 GUSB (0.39) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL10139884 0.79 F10 (0.48) CHEK2
SCHEMBL26731643 0.78 MEN1 (1.00) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL7971397 0.78 ALDH1A1 (0.39) MEN1KMT2AGAAALDH1A1MAPT

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-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed