SCHEMBL31415751

SCHEMBL31415751

c1ccc(C(Cn2cc(Cn3cnnn3)nn2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 8/20 0.40
▸ GBA1 P04062 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HSP90AB1 P08238 2/20 0.35
▸ HMOX1 P09601 1/20 0.35
▸ KCNMA1 Q12791 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ PDE4B Q07343 1/20 0.34

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
SCHEMBL31415747 0.86 GBA1 (0.52) CYP19A1GBA1HRH4NPC1RAB9A
SCHEMBL31415785 0.81 CYP19A1 (0.61) CYP19A1HRH4NPC1RAB9AHSP90AB1
SCHEMBL31415745 0.80 CYP19A1 (0.49) CYP19A1GBA1HRH4
SCHEMBL31415830 0.78 CYP19A1 (0.50) CYP19A1GBA1HRH4NPC1RAB9A
SCHEMBL31415783 0.76 CYP19A1 (0.48) CYP19A1GBA1HRH4NPC1RAB9A
SCHEMBL31415787 0.76 CYP19A1 (0.50) CYP19A1
SCHEMBL31415768 0.75 HDAC3 (0.47) CYP19A1HRH4NPC1RAB9A
SCHEMBL31415752 0.75 SRC (0.49) RAB9AHSP90AB1HMOX1TP53
SCHEMBL31415793 0.75 CYP19A1 (0.48) CYP19A1
SCHEMBL31415753 0.75 CYP19A1 (0.49) CYP19A1GBA1HRH4HMOX1

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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