SCHEMBL30175772

SCHEMBL30175772

CC(C)[C@@H](C)CNc1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.57
TRPC3 Q13507 1/20 0.57
TRPC4 Q9UBN4 1/20 0.57
TRPC5 Q9UL62 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 3/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 2/20 0.51
LMNA P02545 1/20 0.49
NPC1 O15118 2/20 0.48
PKM P14618 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
BACE1 P56817 1/20 0.46
CYP3A4 P08684 1/20 0.45

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
SCHEMBL28983300 1.00 BCHE (0.57) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL28983301 1.00 BCHE (0.57) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL989750 0.87 BCHE (0.60) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL991498 0.80 ALOX12 (0.53) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL3541921 0.79 RAB9A (0.62) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL12472842 0.78 BCHE (0.71) BCHETRPC3TRPC4TRPC5SMN1; SMN2
Hydrochloric Acid SCHEMBL27647756 0.77 BCHE (0.69) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL15360239 0.76 BCHE (0.52) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL14025138 0.76 BCHE (0.71) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL8464091 0.76 BCHE (0.82) BCHETRPC3TRPC4TRPC5SMN1; SMN2

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-115594667-A Benzimidazole compound and preparation method and application thereof 北京京佑奇康科技有限公司(CN) 2023-01-13 CN disclosed