SCHEMBL8764990

SCHEMBL8764990

[O]c1ccc(OCI)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.38
APP P05067 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PARP10 Q53GL7 1/20 0.30
PKM P14618 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL3936794 0.81 NQO1 (0.39) NQO1APPL3MBTL1TSHRTDP1
SCHEMBL7533336 0.76 APP (0.58) NQO1APPCA1CA2CA9
SCHEMBL1199059 0.74 NQO1 (0.74) NQO1TSHRTDP1PARP10CA12
SCHEMBL8347530 0.74 CA1 (0.58) APPL3MBTL1TSHRTDP1CA12
SCHEMBL12709234 0.74 APP (0.52) APPL3MBTL1TDP1
SCHEMBL3328295 0.74 APP (0.52) APPL3MBTL1CA12CA1CA2
SCHEMBL5074375 0.74 APP (0.54) APPCA12CA1CA2CA9
SCHEMBL4618802 0.74 APP (0.52) APP
SCHEMBL13541292 0.74 DRD2 (0.48) NQO1L3MBTL1TDP1MAPT
SCHEMBL13543495 0.73 ALDH1A1 (0.52) L3MBTL1PARP10MAPT

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
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed