SCHEMBL31733637

SCHEMBL31733637

COc1ccc([C@H](C)N[S@@+]([O-])C(C)(C)C)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SCN1A P35498 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HPGD P15428 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ CNR1 P21554 3/20 0.32
▸ CNR2 P34972 5/20 0.32
▸ DRD4 P21917 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
SCHEMBL31733624 1.00 CYP2D6 (0.41) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31733727 0.91 CYP2D6 (0.44) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31733631 0.91 CYP2D6 (0.44) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31733555 0.91 CYP2D6 (0.44) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31733611 0.84 TYR (0.40) CYP2D6CYP3A4HTR2ASLC6A4KCNH2
SCHEMBL31733294 0.84 TYR (0.40) CYP2D6CYP3A4HTR2ASLC6A4KCNH2
SCHEMBL20237734 0.83 CYP2D6 (0.44) CYP2D6HTR2ASLC6A4KCNH2SCN1A
SCHEMBL29668705 0.83 CYP2D6 (0.44) CYP2D6HTR2ASLC6A4KCNH2SCN1A
SCHEMBL20237736 0.83 CYP2D6 (0.44) CYP2D6HTR2ASLC6A4KCNH2SCN1A
SCHEMBL20237732 0.83 CYP2D6 (0.44) CYP2D6HTR2ASLC6A4KCNH2SCN1A

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
WO-2025237891-A1 QUINOLINE-2-CARBOXAMIDE DERIVATIVES AS RAD51 INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2025-11-20 — — WO disclosed
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