SCHEMBL30645024

SCHEMBL30645024

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ FFAR2 O15552 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX12 P18054 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SPHK2 Q9NRA0 1/20 0.41
▸ SPHK1 Q9NYA1 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
SCHEMBL20743140 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL20743137 0.92 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL30645011 0.92 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL20743093 0.82 IRAK4 (0.53) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL30645121 0.82 NPC1 (0.48) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL20743189 0.82 NPC1 (0.48) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL30645027 0.82 IRAK4 (0.53) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL20743990 0.81 NPC1 (0.47) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL20743761 0.81 NPC1 (0.47) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL20743099 0.81 RAB9A (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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