SCHEMBL31530422

SCHEMBL31530422

Cn1cc(-c2ccc(COc3ccc(OS(=O)(=O)F)cc3)cc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.43
▸ PTGS2 P35354 3/20 0.42
▸ STS P08842 3/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ PTPRZ1 P23471 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL31530130 0.83 STS (0.37) BRD4STSNPC1RAB9ASMN1; SMN2
SCHEMBL31530427 0.81 CA1 (0.49) PTGS2STS
SCHEMBL28298660 0.81 BRD4 (0.63) BRD4PTGS2MEN1KMT2ANPC1
SCHEMBL31530410 0.75 CYP1A2 (0.53) NPC1RAB9APTPRZ1
SCHEMBL31530381 0.74 CYP2D6 (0.50) NPC1RAB9APTPRZ1
SCHEMBL31530118 0.74 GSTP1 (0.59) NPC1RAB9APTPRZ1SMN1; SMN2
SCHEMBL31530303 0.73 MAOB (0.55) NPC1RAB9APTPRZ1SMN1; SMN2
SCHEMBL31530138 0.71 PTPRZ1 (0.54) PTGS2NPC1RAB9APTPRZ1SMN1; SMN2
SCHEMBL28434856 0.71 CYP19A1 (0.44) BRD4PTGS2MEN1KMT2ANPC1
SCHEMBL31530294 0.70 MAOB (0.57) NPC1RAB9APTPRZ1

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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