SCHEMBL31415745

SCHEMBL31415745

c1ccc(C(Cn2cc(Cn3cncn3)nn2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 7/20 0.49
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL31415777 0.87 CYP19A1 (0.52) CYP19A1KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL31415773 0.82 CYP19A1 (0.71) CYP19A1HRH4
SCHEMBL10959984 0.81 CYP19A1 (0.56) CYP19A1KMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL31415751 0.80 CYP19A1 (0.40) CYP19A1GBA1HRH4
SCHEMBL31415782 0.78 CYP19A1 (0.56) CYP19A1LMNAGBA1HRH4
SCHEMBL31415787 0.77 CYP19A1 (0.50) CYP19A1
SCHEMBL31415781 0.76 CYP19A1 (0.54) CYP19A1LMNAGBA1HRH4
SCHEMBL31415831 0.75 SRC (0.48) CYP19A1HDAC1HDAC6
SCHEMBL31415765 0.75 SMN1; SMN2 (0.56) CYP19A1KMT2AMEN1ALDH1A1LMNA
SCHEMBL31415758 0.75 CYP19A1 (0.52) CYP19A1LMNAGBA1HRH4

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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