SCHEMBL30306292

SCHEMBL30306292

CC(C)(C)c1nc2c(Cl)cccc2n1C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.51
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ DCTPP1 Q9H773 1/20 0.41
▸ P2RX4 Q99571 1/20 0.39
▸ MAOB P27338 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ MGAM O43451 1/20 0.36
▸ AMY1A P0DUB6 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL30306300 0.85 CNR2 (0.52) CNR2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL30306305 0.75 CNR2 (0.56) CNR2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL30306310 0.75 CNR2 (0.56) CNR2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL28649730 0.75 CNR2 (0.73) CNR2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL30306287 0.75 CNR2 (0.73) CNR2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL30306261 0.74 CNR2 (0.61) CNR2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL30306282 0.72 CNR2 (0.73) CNR2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL30306286 0.71 CNR2 (0.57) CNR2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL30306271 0.71 CNR2 (0.57) CNR2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL30306276 0.70 CNR2 (0.74) CNR2RAB9ANPC1SMN1; SMN2MEN1

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-113717107-B Synthesis method of N-acyl benzimidazole compound 河南师范大学 2023-03-24 — — CN disclosed
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