SCHEMBL30645011

SCHEMBL30645011

CNC(=O)CC(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ TP53 P04637 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ FFAR2 O15552 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ ALOX12 P18054 1/20 0.40

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
SCHEMBL20743137 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL20743140 0.92 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL30645024 0.92 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL21821325 0.88 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL20743990 0.86 NPC1 (0.47) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL19283525 0.82 FFAR2 (0.39) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL30645027 0.80 IRAK4 (0.53) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL30645121 0.80 NPC1 (0.48) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL20743093 0.80 IRAK4 (0.53) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL20743189 0.80 NPC1 (0.48) SMN1; SMN2NPC1RAB9AHTTALDH1A1

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
CN-111344281-B Potassium channel inhibitors substituted benzimidazoles 阿塞西翁制药公司 2023-11-14 — — CN claimed
CN-111344281-B Potassium channel inhibitors substituted benzimidazoles 阿塞西翁制药公司 2023-11-14 — — CN disclosed
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