SCHEMBL31530381

SCHEMBL31530381

O=S(=O)(F)Oc1ccc(OCc2ccc(-c3cnccn3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ PORCN Q9H237 3/20 0.40
▸ PTPRZ1 P23471 1/20 0.40
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA7 P43166 1/20 0.38
▸ PTGDR2 Q9Y5Y4 4/20 0.38
▸ MGLL Q99685 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ WNT3A P56704 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36

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
SCHEMBL31530235 0.81 CYP2D6 (0.41) CYP2D6CYP19A1CYP2C9CYP2C19PORCN
SCHEMBL31530118 0.76 GSTP1 (0.59) PTPRZ1CA12CA1CA2CA9
SCHEMBL31530183 0.74 CYP1A2 (0.51) CYP2D6CYP19A1CYP2C9CYP2C19RAB9A
SCHEMBL1918207 0.74 CYP2D6 (0.49) CYP2D6CYP19A1CYP2C9CYP2C19PORCN
SCHEMBL31530422 0.74 BRD4 (0.43) PTPRZ1RAB9ANPC1
SCHEMBL31530303 0.73 MAOB (0.55) PTPRZ1CA12CA1CA2CA9
SCHEMBL31530294 0.73 MAOB (0.57) PTPRZ1CA12CA1CA2CA9
SCHEMBL31530324 0.73 MGLL (0.62) CYP2C19CA12CA1CA2CA9
SCHEMBL28202352 0.73 CYP2D6 (0.76) CYP2D6CYP19A1CYP2C9CYP2C19RAB9A
SCHEMBL6875995 0.71 CYP2D6 (0.51) CYP2D6CYP19A1CYP2C9CYP2C19

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-2025096495-A1 ARYL FLUOROSULFATE-BASED INHIBITORS AS NOVEL ANTITUBERCULAR AGENTS THE SCRIPPS RESEARCH INSTITUTE (US) 2025-05-08 — — WO claimed
WO-2025096495-A1 ARYL FLUOROSULFATE-BASED INHIBITORS AS NOVEL ANTITUBERCULAR AGENTS THE SCRIPPS RESEARCH INSTITUTE (US) 2025-05-08 — — WO disclosed
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