SCHEMBL10413872

SCHEMBL10413872

Cc1cc(NS(=O)(=O)NC(=O)N2C[C@H](NC(=O)Cc3ccccc3)C2=O)ns1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ HRH1 P35367 1/20 0.34
▸ SLC22A8 Q8TCC7 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ FPR1 P21462 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL10413410 0.88 PREP (0.39) ALDH1A1
SCHEMBL10414816 0.88 KDM4E (0.33) LMNA
SCHEMBL10414278 0.87 POLB (0.38) SLC22A8POLBALDH1A1LMNATSHR
SCHEMBL10547616 0.84 GAPDH (0.40) ALDH1A1
SCHEMBL10413424 0.84 KDM5A (0.30) —
SCHEMBL10414814 0.84 CYP3A4 (0.31) MAPK1CYP2C19ALDH1A1CYP3A4
SCHEMBL10548246 0.84 GAPDH (0.40) ALDH1A1
SCHEMBL10412840 0.83 HSD17B10 (0.40) MAPK1SLC22A8CYP2C19POLBALDH1A1
SCHEMBL10413407 0.82 HSD17B10 (0.33) ALDH1A1LMNATSHRL3MBTL1SMN1; SMN2
SCHEMBL10414303 0.81 ALDH1A1 (0.31) ALDH1A1

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-4912214-A Containing azelidin-2-one ring HOFFMAN-LA ROCHE INC. (US) 1990-03-27 — — US disclosed
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