SCHEMBL28529761

SCHEMBL28529761

CS(=O)(=O)Cl.O=c1oc(-c2cc(Br)nn2-c2ncccc2Cl)nc2c(Cl)cc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.38
▸ CYP17A1 P05093 1/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL30749778 0.94 DHODH (0.40) DHODH
SCHEMBL950250 0.94 DHODH (0.40) DHODH
SCHEMBL28525374 0.94 DHODH (0.38) DHODH
SCHEMBL28531289 0.93 DHODH (0.41) DHODHCYP17A1CYP1A2
SCHEMBL29598524 0.88 DHODH (0.43) DHODHCYP17A1CYP1A2
SCHEMBL465839 0.88 DHODH (0.43) DHODHCYP17A1CYP1A2
SCHEMBL950141 0.88 DHODH (0.39) DHODH
SCHEMBL28518923 0.88 DHODH (0.41) DHODHCYP17A1CYP1A2
SCHEMBL12528630 0.87 DHODH (0.42) DHODHCYP17A1CYP1A2
SCHEMBL951320 0.86 DHODH (0.40) DHODH

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
CN-110066270-B Polyamide compound and preparation method and application thereof 湖南化工研究院有限公司 2021-02-26 — — CN disclosed
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