SCHEMBL31415749

SCHEMBL31415749

c1ccc(CCCCn2cc(Cn3ccnc3)nn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.51
▸ CYP11B2 P19099 4/20 0.51
▸ CYP19A1 P11511 4/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TBXAS1 P24557 1/20 0.51
▸ QPCT Q16769 1/20 0.51
▸ CYP4Z1 Q86W10 1/20 0.51
▸ QPCTL Q9NXS2 1/20 0.51
▸ HRH4 Q9H3N8 3/20 0.48
▸ HRH3 Q9Y5N1 3/20 0.48
▸ HMOX1 P09601 1/20 0.47
▸ FNTA P49354 1/20 0.44
▸ FNTB P49356 1/20 0.44
▸ PGGT1B P53609 1/20 0.44
▸ EP300 Q09472 1/20 0.44
▸ CYP17A1 P05093 1/20 0.44

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
SCHEMBL31415789 0.96 CYP11B1 (0.52) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL31415764 0.91 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL31415759 0.84 CYP19A1 (0.64) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL31415786 0.84 CYP19A1 (0.56) CYP11B1CYP11B2CYP19A1TBXAS1HRH4
SCHEMBL31415791 0.79 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1TBXAS1HRH4
SCHEMBL31415761 0.79 CYP19A1 (0.58) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL31415754 0.79 CYP19A1 (0.62) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL31415760 0.79 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1TBXAS1QPCT
SCHEMBL31415772 0.79 CYP19A1 (0.57) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL31415758 0.79 CYP19A1 (0.52) CYP19A1MAPTHRH4HRH3EP300

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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