SCHEMBL31733631

SCHEMBL31733631

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.44
▸ SCN1A P35498 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTR2A P28223 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ ADRA2A P08913 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
SCHEMBL31733555 1.00 CYP2D6 (0.44) CYP2D6SCN1ASCN2ASCN3ACYP1A2
SCHEMBL31733727 1.00 CYP2D6 (0.44) CYP2D6SCN1ASCN2ASCN3ACYP1A2
SCHEMBL31733624 0.91 CYP2D6 (0.41) CYP2D6SCN1ASCN2ASCN3ACYP1A2
SCHEMBL31733637 0.91 CYP2D6 (0.41) CYP2D6SCN1ASCN2ASCN3ACYP1A2
SCHEMBL29668705 0.86 CYP2D6 (0.44) CYP2D6SCN1ASCN2ASCN3AHTT
SCHEMBL20237734 0.86 CYP2D6 (0.44) CYP2D6SCN1ASCN2ASCN3AHTT
SCHEMBL20237736 0.86 CYP2D6 (0.44) CYP2D6SCN1ASCN2ASCN3AHTT
SCHEMBL20237732 0.86 CYP2D6 (0.44) CYP2D6SCN1ASCN2ASCN3AHTT
SCHEMBL31733611 0.82 TYR (0.40) CYP2D6SCN1ASCN2ASCN3ACYP3A4
SCHEMBL31733294 0.82 TYR (0.40) CYP2D6SCN1ASCN2ASCN3ACYP3A4

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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