SCHEMBL30645019

SCHEMBL30645019

CNC(=O)CC(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ITGA5 P08648 1/20 0.47
▸ ITGB6 P18564 1/20 0.47
▸ ITGB8 P26012 1/20 0.47
▸ SOS1 Q07889 3/20 0.47
▸ MTOR P42345 1/20 0.45
▸ NTRK1 P04629 1/20 0.42
▸ NTRK2 Q16620 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RAF1 P04049 2/20 0.41
▸ BRAF P15056 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ TEAD4 Q15561 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
SCHEMBL20743761 1.00 NPC1 (0.47) NPC1HTTRAB9ASMN1; SMN2ITGA5
SCHEMBL20743024 0.91 ITGA5 (0.45) NPC1HTTRAB9ASMN1; SMN2ITGA5
SCHEMBL20743019 0.90 SOS1 (0.45) NPC1HTTRAB9ASMN1; SMN2ITGA5
SCHEMBL19283613 0.89 ITGB6 (0.55) NPC1HTTRAB9ASMN1; SMN2ITGA5
SCHEMBL19283808 0.89 ITGA5 (0.47) NPC1HTTRAB9ASMN1; SMN2ITGA5
SCHEMBL19301055 0.89 ITGA5 (0.47) NPC1HTTRAB9ASMN1; SMN2ITGA5
SCHEMBL19283637 0.88 ITGA5 (0.47) NPC1HTTRAB9ASMN1; SMN2ITGA5
SCHEMBL21821324 0.88 ITGA5 (0.45) NPC1HTTRAB9ASMN1; SMN2ITGA5
SCHEMBL19283503 0.88 ITGA5 (0.45) NPC1HTTRAB9ASMN1; SMN2ITGA5
SCHEMBL21821305 0.88 SMN1; SMN2 (0.48) NPC1HTTRAB9ASMN1; SMN2ITGA5

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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