SCHEMBL9818523

SCHEMBL9818523

O=[N+]([O-])Nc1cc(O)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KCNMA1 Q12791 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TLR9 Q9NR96 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL10610192 0.81 KMT2A (0.47) HSD17B10MEN1KMT2AMAPTMCL1
SCHEMBL1625817 0.74 TSHR (0.41) HSD17B10NPSR1MEN1KMT2ARAB9A
SCHEMBL31374378 0.72 MAPK1 (0.49) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7208909 0.72 MAPK1 (0.49) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL545300 0.71 VCAM1 (0.61) HSD17B10NPSR1MEN1KMT2ARAB9A
SCHEMBL16284442 0.70 MAPT (0.55) HSD17B10CA12CA1CA2CA7
SCHEMBL21727944 0.70 HSD17B10 (0.52) HSD17B10CA12CA1CA2CA7
SCHEMBL11563326 0.69 TSHR (0.52) CA1CA14NPSR1MEN1KMT2A
SCHEMBL9308263 0.69 TRPV1 (0.43) RXFP1MEN1KMT2ARAB9AALDH1A1
Hydrochloric Acid SCHEMBL16280031 0.68 MAPT (0.53) HSD17B10CA12CA1CA2CA7

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
US-5001227-A Fibre-reactive 1:1 chromium complex azo or azomethine dyes having a bidentate chelating group and a monofunctional neutral ligand CIBA-GEIGY CORPORATION (US) 1991-03-19 US disclosed