SCHEMBL30544036

SCHEMBL30544036

O=C1c2ccccc2C(=S)N1C(Cl)(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CASP3 P42574 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ CES1 P23141 1/20 0.34
▸ EHMT2 Q96KQ7 1/20 0.34
▸ EHMT1 Q9H9B1 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ GLS O94925 1/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL54760 1.00 DPP4 (0.40) DPP4NR1H2NR1H3CYP1A2MEN1
SCHEMBL5940982 0.85 MEN1 (0.43) CYP1A2MEN1KMT2APOLBCASP3
SCHEMBL961338 0.85 DPP4 (0.38) DPP4NR1H2NR1H3CYP1A2MEN1
SCHEMBL31288119 0.84 DPP4 (0.40) DPP4NR1H2NR1H3CYP1A2MEN1
SCHEMBL11424975 0.82 DPP4 (0.40) DPP4NR1H2NR1H3CYP1A2MEN1
SCHEMBL22401901 0.80 DPP4 (0.44) DPP4NR1H2NR1H3CYP1A2MEN1
SCHEMBL11603985 0.79 DPP4 (0.41) DPP4NR1H2NR1H3CYP1A2MEN1
SCHEMBL11610021 0.77 DPP4 (0.39) DPP4NR1H2NR1H3CYP1A2CASP3
SCHEMBL11608160 0.75 NR1H3 (0.44) DPP4NR1H2NR1H3CYP1A2MEN1
SCHEMBL8045796 0.72 CES1 (0.47) DPP4NR1H2NR1H3CYP1A2MEN1

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
CN-116622260-B Sulfur-containing environment antibacterial coating and preparation method thereof 中国石油化工股份有限公司 2024-11-08 — — CN claimed
CN-116622260-A Sulfur-containing environment antibacterial coating and preparation method thereof 中国石油化工股份有限公司 2023-08-22 — — CN claimed
EP-4728012-A1 APPLICATION OF A BIOCIDE-CONTAINING FOULING CONTROL COMPOSITION BY ELECTROSTATIC SPRAYING PPG Coatings Europe B.V. (NL) 2026-04-22 — — EP disclosed
CN-116622260-B Sulfur-containing environment antibacterial coating and preparation method thereof 中国石油化工股份有限公司 2024-11-08 — — CN disclosed
CN-116622260-A Sulfur-containing environment antibacterial coating and preparation method thereof 中国石油化工股份有限公司 2023-08-22 — — CN disclosed
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