SCHEMBL30848445

SCHEMBL30848445

O=C(O)c1cc(-c2ccc3[nH]cnc3c2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.53
ACMSD Q8TDX5 8/20 0.53
DHFR P00374 1/20 0.53
HNF4A P41235 1/20 0.53
LCK P06239 2/20 0.50
XDH P47989 1/20 0.42
IL1B P01584 1/20 0.42

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
SCHEMBL30848074 0.79 QPCT (0.48)
SCHEMBL29172077 0.79 QPCT (0.48)
SCHEMBL31143361 0.79 MAPT (0.50) XDH
SCHEMBL6008269 0.79 MAPT (0.50) XDH
SCHEMBL352343 0.78 ALDH1A1 (0.44) XDH
SCHEMBL2771723 0.77 ACMSD (0.83) MCL1ACMSDDHFRHNF4ALCK
SCHEMBL29904854 0.77 ACMSD (0.83) MCL1ACMSDDHFRHNF4ALCK
SCHEMBL28178021 0.76 PARP1 (0.46)
SCHEMBL18224311 0.75 ACMSD (0.88) MCL1ACMSDDHFRHNF4ALCK
SCHEMBL22206257 0.75 ACMSD (0.80) MCL1ACMSDDHFRHNF4ALCK

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-117720472-A Benzimidazole compound, and preparation method and application thereof 苏州沪云新药研发股份有限公司 2024-03-19 CN disclosed