SCHEMBL10665557

SCHEMBL10665557

CCCCCCN1C(=O)/C(=C/C(=O)O)S/C1=N/c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.47
▸ S1PR3 Q99500 3/20 0.47
▸ CDC25A P30304 9/20 0.41
▸ PPARG P37231 2/20 0.38
▸ NR1H4 Q96RI1 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ CDC25B P30305 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
SCHEMBL10665560 1.00 S1PR1 (0.47) S1PR1S1PR3CDC25APPARGNR1H4
SCHEMBL10666251 0.83 S1PR1 (0.48) S1PR1S1PR3CDC25APPARGLMNA
SCHEMBL10666243 0.83 S1PR1 (0.48) S1PR1S1PR3CDC25APPARGLMNA
SCHEMBL10667434 0.80 LMNA (0.55) S1PR1S1PR3CDC25ALMNAHPGD
SCHEMBL10667429 0.80 LMNA (0.55) S1PR1S1PR3CDC25ALMNAHPGD
SCHEMBL10665524 0.78 CDC25A (0.45) S1PR1S1PR3CDC25ALMNAHPGD
SCHEMBL10665518 0.78 CDC25A (0.45) S1PR1S1PR3CDC25ALMNAHPGD
SCHEMBL10664577 0.75 CDC25A (0.44) S1PR1S1PR3CDC25ALMNAHPGD
SCHEMBL10666033 0.75 CDC25A (0.44) S1PR1S1PR3CDC25ALMNAHPGD
SCHEMBL10661496 0.75 CDC25A (0.44) S1PR1S1PR3CDC25ALMNAHPGD

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
US-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US claimed
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