SCHEMBL31415759

SCHEMBL31415759

c1ccc(Cn2cc(Cn3ccnc3)nn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 11/20 0.64
▸ CYP11B1 P15538 5/20 0.64
▸ CYP11B2 P19099 4/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ TBXAS1 P24557 1/20 0.64
▸ QPCT Q16769 1/20 0.64
▸ CYP4Z1 Q86W10 1/20 0.64
▸ QPCTL Q9NXS2 1/20 0.64
▸ CYP17A1 P05093 1/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ HRH4 Q9H3N8 1/20 0.52
▸ GUSB P08236 1/20 0.48

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
SCHEMBL31415764 0.88 CYP11B1 (0.55) CYP19A1CYP11B1CYP11B2CYP1A2POLB
SCHEMBL31415755 0.87 CYP19A1 (0.71) CYP19A1NPC1RAB9A
SCHEMBL31415789 0.85 CYP11B1 (0.52) CYP19A1CYP11B1CYP11B2CYP1A2POLB
SCHEMBL31415749 0.84 CYP11B1 (0.51) CYP19A1CYP11B1CYP11B2CYP1A2POLB
SCHEMBL31415787 0.82 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2CYP1A2POLB
SCHEMBL31415763 0.81 CYP19A1 (0.70) CYP19A1CYP11B1CYP11B2
SCHEMBL31415762 0.81 CYP19A1 (0.70) CYP19A1CYP11B1CYP11B2
SCHEMBL31415754 0.80 CYP19A1 (0.62) CYP19A1CYP11B1CYP11B2CYP1A2POLB
Benzylimidazole SCHEMBL414 0.79 CYP11B1 (1.00) CYP19A1CYP11B1CYP11B2CYP1A2POLB
SCHEMBL22063900 0.79 CYP11B1 (1.00) CYP19A1CYP11B1CYP11B2CYP1A2POLB

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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