SCHEMBL31585594

SCHEMBL31585594

O=C(O)c1cnc(NC(=O)c2cc(F)ccc2Cl)cn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ NCOR1 O75376 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ACLY P53396 1/20 0.42
▸ P4HTM Q9NXG6 4/20 0.42
▸ PKM P14618 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL20601607 1.00 ANO1 (0.47) ANO1NPC1RAB9AHDAC3NCOR1
SCHEMBL20602376 0.86 NPC1 (0.46) ANO1NPC1RAB9AHDAC3NCOR1
SCHEMBL5272434 0.82 HCAR3 (0.55) ANO1NPC1RAB9AALDH1A1MEN1
SCHEMBL31585933 0.82 HCAR3 (0.55) ANO1NPC1RAB9AALDH1A1MEN1
SCHEMBL20601626 0.81 PTGFR (0.49) HDAC3NCOR1MEN1HTTKMT2A
SCHEMBL20601692 0.81 SMN1; SMN2 (0.53) NPC1RAB9AALDH1A1HTTLMNA
SCHEMBL31362028 0.81 SMN1; SMN2 (0.53) NPC1RAB9AALDH1A1HTTLMNA
SCHEMBL5232661 0.77 NPC1 (0.52) NPC1RAB9AALDH1A1MEN1HTT
SCHEMBL18145934 0.75 NPC1 (0.53) NPC1RAB9AALDH1A1MEN1HTT
SCHEMBL12155789 0.74 STIM1 (0.66) ANO1NPC1RAB9AALDH1A1MEN1

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
CN-120025312-A Benzazepine derivatives 大塚制药株式会社 2025-05-23 — — CN disclosed
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