SCHEMBL31415760

SCHEMBL31415760

Cc1ccc(CCn2cc(Cn3ccnc3)nn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 8/20 0.57
▸ CYP11B2 P19099 8/20 0.57
▸ CYP19A1 P11511 4/20 0.57
▸ TBXAS1 P24557 3/20 0.43
▸ HRH4 Q9H3N8 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ CYP2A6 P11509 1/20 0.41
▸ CYP2B6 P20813 1/20 0.41
▸ QPCT Q16769 1/20 0.41

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 0.88 CYP19A1 (0.57) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL31415791 0.88 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1TBXAS1HRH4
SCHEMBL31415761 0.88 CYP19A1 (0.58) CYP11B1CYP11B2CYP19A1TBXAS1CYP2A6
SCHEMBL31415764 0.87 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1TBXAS1HRH4
SCHEMBL31415832 0.84 HMOX1 (0.54) CYP11B1CYP11B2CYP19A1TBXAS1HRH4
SCHEMBL31415757 0.82 CYP1A2 (0.47) CYP11B1CYP11B2CYP19A1HRH4CYP2A6
SCHEMBL31415786 0.81 CYP19A1 (0.56) CYP11B1CYP11B2CYP19A1TBXAS1HRH4
SCHEMBL31415789 0.80 CYP11B1 (0.52) CYP11B1CYP11B2CYP19A1TBXAS1HRH4
SCHEMBL31415749 0.79 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1TBXAS1HRH4
SCHEMBL31415779 0.79 PTGS2 (0.43) CYP19A1PTGS2

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