SCHEMBL31606960

SCHEMBL31606960

Cc1c(Cl)cccc1Nc1ccc(-c2ccccc2)cc1C(=O)Nc1ccc(N2CCNCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 10/20 0.81
PTGS2 P35354 3/20 0.52
TOP1 P11387 3/20 0.52
SMO Q99835 1/20 0.47
MAPKAPK2 P49137 3/20 0.47
USP28 Q96RU2 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46

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
SCHEMBL31606967 0.94 MT-CO2 (0.79) MT-CO2PTGS2TOP1SMOMAPKAPK2
SCHEMBL29940391 0.90 MT-CO2 (1.00) MT-CO2PTGS2TOP1MAPKAPK2MAPK8
SCHEMBL28905908 0.90 MT-CO2 (1.00) MT-CO2PTGS2TOP1MAPKAPK2MAPK8
SCHEMBL31606999 0.89 MT-CO2 (0.84) MT-CO2PTGS2TOP1MAPKAPK2
SCHEMBL31606997 0.89 MT-CO2 (0.84) MT-CO2PTGS2TOP1MAPKAPK2MAPK8
SCHEMBL31607042 0.88 MT-CO2 (0.81) MT-CO2PTGS2TOP1MAPKAPK2MAPK8
SCHEMBL31607007 0.88 MT-CO2 (0.81) MT-CO2PTGS2TOP1MAPKAPK2MAPK8
SCHEMBL31606991 0.86 MT-CO2 (0.78) MT-CO2PTGS2TOP1MAPKAPK2
SCHEMBL31607024 0.84 MT-CO2 (0.82) MT-CO2PTGS2TOP1MAPKAPK2
SCHEMBL29941121 0.84 MT-CO2 (0.88) MT-CO2PTGS2TOP1

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-120081802-A Heterocyclic substituted benzamide derivative and application thereof 南华大学附属第一医院 2025-06-03 CN disclosed