SCHEMBL31415787

SCHEMBL31415787

c1ccc(C(Cn2cc(Cn3ccnc3)nn2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.50
▸ CYP11B1 P15538 8/20 0.48
▸ CYP11B2 P19099 8/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TBXAS1 P24557 1/20 0.48
▸ QPCT Q16769 1/20 0.48
▸ CYP4Z1 Q86W10 1/20 0.48
▸ QPCTL Q9NXS2 1/20 0.48
▸ HMOX2 P30519 1/20 0.45
▸ CYP17A1 P05093 1/20 0.43
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 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
SCHEMBL31415754 0.87 CYP19A1 (0.62) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL31415759 0.82 CYP19A1 (0.64) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL31415764 0.79 CYP11B1 (0.55) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL31415745 0.77 CYP19A1 (0.49) CYP19A1
SCHEMBL31415789 0.77 CYP11B1 (0.52) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL10652258 0.76 CYP19A1 (0.69) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL31415749 0.76 CYP11B1 (0.51) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL31415744 0.76 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL31415833 0.76 TBXAS1 (0.46) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL31415746 0.76 TBXAS1 (0.63) CYP19A1CYP11B1CYP11B2TBXAS1

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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