SCHEMBL28525374

SCHEMBL28525374

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL950141 0.95 DHODH (0.39) DHODHALDH1A1POLBMAPTNPSR1
SCHEMBL28529761 0.94 DHODH (0.38) DHODH
SCHEMBL28531289 0.92 DHODH (0.41) DHODHALDH1A1POLBMAPTNPSR1
SCHEMBL950250 0.88 DHODH (0.40) DHODHALDH1A1POLBMAPTNPSR1
SCHEMBL30749778 0.88 DHODH (0.40) DHODHALDH1A1POLBMAPTNPSR1
SCHEMBL465839 0.87 DHODH (0.43) DHODHALDH1A1POLBMAPTNPSR1
SCHEMBL950558 0.87 DHODH (0.41) DHODHALDH1A1POLBMAPTNPSR1
SCHEMBL29598524 0.87 DHODH (0.43) DHODHALDH1A1POLBMAPTNPSR1
SCHEMBL950948 0.87 DHODH (0.39) DHODHMAPT
SCHEMBL28518923 0.87 DHODH (0.41) 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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