SCHEMBL31415754

SCHEMBL31415754

c1ccc(C(CCn2cc(Cn3ccnc3)nn2)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.62
▸ GBA1 P04062 1/20 0.50
▸ CYP11B1 P15538 8/20 0.46
▸ CYP11B2 P19099 8/20 0.46
▸ BCHE P06276 1/20 0.46
▸ TBXAS1 P24557 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ QPCT Q16769 1/20 0.46
▸ CYP4Z1 Q86W10 1/20 0.46
▸ QPCTL Q9NXS2 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ HMOX2 P30519 1/20 0.43
▸ CYP17A1 P05093 1/20 0.42
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2C9 P11712 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
SCHEMBL31415787 0.87 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL31415764 0.82 CYP11B1 (0.55) CYP19A1GBA1CYP11B1CYP11B2TBXAS1
SCHEMBL31415759 0.80 CYP19A1 (0.64) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL31415789 0.80 CYP11B1 (0.52) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL31415749 0.79 CYP11B1 (0.51) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL31415746 0.79 TBXAS1 (0.63) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL31415777 0.79 CYP19A1 (0.52) CYP19A1GBA1BCHEMAPTHRH4
SCHEMBL5303970 0.78 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL31415747 0.77 GBA1 (0.52) CYP19A1GBA1BCHEHRH4
SCHEMBL31415833 0.74 TBXAS1 (0.46) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2

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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