SCHEMBL31415746

SCHEMBL31415746

c1ccc(OCCn2cc(Cn3ccnc3)nn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 7/20 0.63
▸ LTA4H P09960 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ CYP11B1 P15538 1/20 0.48
▸ CYP11B2 P19099 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP19A1 P11511 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
SCHEMBL31415764 0.81 CYP11B1 (0.55) TBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL31415759 0.79 CYP19A1 (0.64) TBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL31415789 0.79 CYP11B1 (0.52) TBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL31415765 0.79 SMN1; SMN2 (0.56) KMT2AKDM4EALDH1A1CYP19A1MEN1
SCHEMBL31415754 0.79 CYP19A1 (0.62) TBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL10370478 0.78 TBXAS1 (1.00) TBXAS1LTA4HKMT2AKDM4EALDH1A1
SCHEMBL31415749 0.78 CYP11B1 (0.51) TBXAS1CYP11B1CYP11B2CYP19A1
SCHEMBL31415793 0.78 CYP19A1 (0.48) TBXAS1LTA4HCYP19A1
Hydrochloric Acid SCHEMBL9996050 0.77 TBXAS1 (0.97) TBXAS1LTA4HKMT2AKDM4EALDH1A1
SCHEMBL31415787 0.76 CYP19A1 (0.50) TBXAS1CYP11B1CYP11B2CYP19A1

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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