SCHEMBL10714710

SCHEMBL10714710

COC(=O)c1scc(C)c1NC(=O)CCl

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
POLB P06746 1/20 0.65
CYP2C19 P33261 1/20 0.65
HTR1A P08908 1/20 0.60
SCN1A P35498 1/20 0.60
SCN2A Q99250 1/20 0.60
SCN3A Q9NY46 1/20 0.60
MAPT P10636 2/20 0.58
PKM P14618 1/20 0.58
ATM Q13315 1/20 0.58
KDM4E B2RXH2 3/20 0.55
HTT P42858 1/20 0.55
GAA P10253 1/20 0.49
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 6/20 0.46
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL22692963 0.86 CYP1A2 (0.67) CYP1A2CYP3A4POLBCYP2C19HTR1A
SCHEMBL7933231 0.85 CYP1A2 (0.65) CYP1A2CYP3A4POLBCYP2C19HTR1A
SCHEMBL22664823 0.85 CYP1A2 (0.65) CYP1A2CYP3A4POLBCYP2C19HTR1A
SCHEMBL10714259 0.84 ALDH1A1 (0.49) CYP1A2CYP3A4POLBCYP2C19HTR1A
Bromide SCHEMBL23295960 0.84 CYP1A2 (0.64) CYP1A2CYP3A4POLBCYP2C19HTR1A
Phosphine SCHEMBL23295959 0.84 CYP1A2 (0.64) CYP1A2CYP3A4POLBCYP2C19HTR1A
SCHEMBL31531369 0.82 CYP1A2 (0.62) CYP1A2CYP3A4POLBCYP2C19HTR1A
SCHEMBL23332711 0.82 CYP1A2 (0.62) CYP1A2CYP3A4POLBCYP2C19HTR1A
SCHEMBL31259544 0.82 CYP1A2 (0.62) CYP1A2CYP3A4POLBCYP2C19HTR1A
SCHEMBL31538613 0.82 CYP1A2 (0.62) CYP1A2CYP3A4POLBCYP2C19HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025093589-A1 HETEROARYL AMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-05-08 WO disclosed
US-4666502-A Herbicidal N-thienyl-chloroacetamides SANDOZ LTD. (CH) 1987-05-19 US disclosed