SCHEMBL31415832

SCHEMBL31415832

FC(F)(F)c1ccc(CCn2cc(Cn3ccnc3)nn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HMOX1 P09601 1/20 0.54
▸ NOS1 P29475 4/20 0.45
▸ HDAC1 Q13547 1/20 0.42
▸ CYP19A1 P11511 4/20 0.41
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ TBXAS1 P24557 3/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL31415772 0.87 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL31415791 0.84 CYP11B1 (0.57) CYP19A1CYP11B1CYP11B2TBXAS1HRH4
SCHEMBL31415760 0.84 CYP11B1 (0.57) CYP19A1CYP11B1CYP11B2TBXAS1HRH4
SCHEMBL31415761 0.84 CYP19A1 (0.58) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL31415764 0.84 CYP11B1 (0.55) HMOX1CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL31415757 0.79 CYP1A2 (0.47) CYP19A1CYP11B1CYP11B2HRH4
SCHEMBL31415786 0.78 CYP19A1 (0.56) HMOX1CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL31415789 0.77 CYP11B1 (0.52) HMOX1CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL28140204 0.77 CYP11B1 (0.68) HMOX1NOS1CYP19A1CYP11B1CYP11B2
SCHEMBL31415749 0.76 CYP11B1 (0.51) HMOX1CYP19A1CYP11B1CYP11B2TBXAS1

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-2025003984-A1 INHIBITORS OF HEME OXYGENASE, COMPOSITIONS AND USES THEREOF Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” (IT) 2025-01-02 — — WO disclosed
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