SCHEMBL8402800

SCHEMBL8402800

O=C1C=CC(=NCl)C(Br)=C1Br

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ DNMT1 P26358 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
SCHEMBL21174857 1.00 IDO1 (0.36) IDO1TDO2NSD2DNMT1
SCHEMBL300031 0.76 MAOA (0.37) IDO1
SCHEMBL7039952 0.68 IDO1 (0.38) IDO1TDO2NSD2DNMT1
SCHEMBL11829765 0.67 MAPT (0.42) IDO1TDO2NSD2DNMT1
SCHEMBL3932728 0.62 IDO1 (0.32) IDO1
SCHEMBL16994965 0.62 MEN1 (0.31) —
SCHEMBL12819407 0.58 AURKA (0.36) —
SCHEMBL4804406 0.58 NPC1 (0.36) NSD2
SCHEMBL11815995 0.57 PABPC1 (0.46) IDO1TDO2NSD2DNMT1
SCHEMBL7598298 0.54 TP53 (0.36) —

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11044648-A — — None — — JP disclosed
CN-117169390-B Method for determining antoin in blood, kit and application 宁波市疾病预防控制中心(宁波市健康教育与促进中心) 2024-05-03 — — CN disclosed
CN-117169390-A Method for determining antoin in blood, kit and application 宁波市疾病预防控制中心(宁波市健康教育与促进中心) 2023-12-05 — — CN disclosed
US-20190228955-A1 METHODS OF DETECTING CHEMICALS PURDUE RESEARCH FOUNDATION (US) 2019-07-25 — — US disclosed
JP-H1144648-A KIND DISCRIMINATING METHOD FOR PLASTICIZER MITSUBISHI CABLE IND LTD 1999-02-16 — — JP disclosed
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