SCHEMBL10335607

SCHEMBL10335607

CCCSc1cccc2c1C(=O)NC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PDE5A O76074 2/20 0.40
▸ SOAT1 P35610 1/20 0.40
▸ GSK3B P49841 2/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ PARP1 P09874 3/20 0.38
▸ CASP3 P42574 3/20 0.37
▸ HTR7 P34969 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CASP2 P42575 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ CASP8 Q14790 1/20 0.35
▸ GSK3A P49840 1/20 0.35

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
SCHEMBL11588296 0.91 SOAT1 (0.42) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL2426921 0.88 SOAT1 (0.45) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL7747518 0.88 SOAT1 (0.45) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL21111964 0.87 KDM4E (0.44) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL30609814 0.84 KDM4E (0.45) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL11604127 0.84 GSK3B (0.39) ALDH1A1KDM4EGAAHPGDHSD17B10
Formamide SCHEMBL28145518 0.82 SOAT1 (0.40) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL2359302 0.80 GSK3B (0.42) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL6365364 0.80 SOAT1 (0.47) ALDH1A1KDM4EPDE5ASOAT1PTGS2
SCHEMBL6399900 0.79 GSK3B (0.38) ALDH1A1KDM4EGAAHPGDHSD17B10

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-108350018-A The manufacturing method of oligonucleotides 日产化学工业株式会社 2018-07-31 — — CN disclosed
EP-0302880-A4 FUNGICIDAL TRIAZOLES AND IMIDAZOLES. DU PONT (US) 1990-05-14 — — EP disclosed
EP-0302880-A1 FUNGICIDAL TRIAZOLES AND IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-15 — — EP disclosed
US-4729986-A AGRICULTURE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-03-08 — — US disclosed
WO-1987006430-A1 FUNGICIDAL TRIAZOLES AND IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-05 — — WO disclosed
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