SCHEMBL31615194

SCHEMBL31615194

O=C1NC(=O)C(c2cc3ccccc3[nH]2)=C1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ PRKD3 O94806 5/20 0.56
▸ PRKCG P05129 5/20 0.56
▸ PRKCB P05771 5/20 0.56
▸ PRKCA P17252 5/20 0.56
▸ PRKCH P24723 5/20 0.56
▸ PRKCI P41743 5/20 0.56
▸ PRKCE Q02156 5/20 0.56
▸ PRKCQ Q04759 5/20 0.56
▸ PRKCZ Q05513 5/20 0.56
▸ PRKCD Q05655 5/20 0.56
▸ PRKD1 Q15139 5/20 0.56
▸ PRKACA P17612 2/20 0.56
▸ PRKACG P22612 2/20 0.56
▸ PRKACB P22694 2/20 0.56
▸ KDR P35968 2/20 0.50
▸ CHEK1 O14757 1/20 0.50
▸ PTGS2 P35354 5/20 0.49
▸ CYP19A1 P11511 1/20 0.46

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
SCHEMBL3148480 1.00 NPC1 (0.61) NPC1RAB9APRKD3PRKCGPRKCB
SCHEMBL29415921 0.92 PRKD3 (0.62) NPC1RAB9APRKD3PRKCGPRKCB
SCHEMBL78989 0.92 PRKD3 (0.62) NPC1RAB9APRKD3PRKCGPRKCB
SCHEMBL3959789 0.90 PRKD3 (0.61) NPC1RAB9APRKD3PRKCGPRKCB
SCHEMBL6417753 0.81 PRKD3 (0.56) NPC1RAB9APRKD3PRKCGPRKCB
SCHEMBL3908537 0.81 PRKD3 (0.59) NPC1RAB9APRKD3PRKCGPRKCB
SCHEMBL1155579 0.80 KDR (0.59) NPC1RAB9APRKD3PRKCGPRKCB
SCHEMBL15758300 0.79 PRKCB (0.64) NPC1RAB9APRKD3PRKCGPRKCB
SCHEMBL12424814 0.78 KDR (0.54) NPC1RAB9APRKD3PRKCGPRKCB
SCHEMBL2986726 0.78 PRKD3 (0.53) PRKD3PRKCGPRKCBPRKCAPRKCH

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-2025122501-A1 BENZOTHIOPHENE-3-YL- AND BENZOSELENOPHENE-3-YL (BICLYCLIC HETEROARYL) MALEMIDES AS GSK-3 INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2025-06-12 — — WO disclosed
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