SCHEMBL31415833

SCHEMBL31415833

C(=Cc1ccccc1)Cn1cc(Cn2ccnc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 6/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ CYP11B1 P15538 4/20 0.45
▸ CYP11B2 P19099 4/20 0.45
▸ CYP1A2 P05177 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP19A1 P11511 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 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
SCHEMBL31415759 0.79 CYP19A1 (0.64) TBXAS1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL31415770 0.79 HDAC1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8347428 0.78 TBXAS1 (0.68) TBXAS1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL8347430 0.78 TBXAS1 (0.68) TBXAS1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL31415768 0.78 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL28253387 0.77 TBXAS1 (0.69) TBXAS1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL31415787 0.76 CYP19A1 (0.50) TBXAS1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL31415764 0.76 CYP11B1 (0.55) TBXAS1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL31415754 0.74 CYP19A1 (0.62) TBXAS1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL31415789 0.74 CYP11B1 (0.52) TBXAS1CYP11B1CYP11B2CYP1A2CYP3A4

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 1 patent. 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 disclosed
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