SCHEMBL31606985

SCHEMBL31606985

Cc1c(Cl)cccc1Nc1ccccc1C(=O)Nc1ccc(N2CCNCC2)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 10/20 0.78
PTGS2 P35354 3/20 0.62
TOP1 P11387 4/20 0.62
RAB9A P51151 4/20 0.55
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL31606986 0.94 MT-CO2 (0.75) MT-CO2PTGS2TOP1RAB9ACHRM5
SCHEMBL31607052 0.92 MT-CO2 (0.73) MT-CO2PTGS2TOP1RAB9ANPC1
SCHEMBL31607028 0.92 MT-CO2 (0.73) MT-CO2PTGS2TOP1RAB9ACHRM5
SCHEMBL31607039 0.91 PTGS2 (0.72) MT-CO2PTGS2TOP1RAB9ACHRM5
SCHEMBL31606990 0.90 MT-CO2 (0.69) MT-CO2PTGS2TOP1
SCHEMBL31606989 0.89 MT-CO2 (0.68) MT-CO2PTGS2TOP1RAB9AALDH1A1
SCHEMBL28905908 0.88 MT-CO2 (1.00) MT-CO2PTGS2TOP1RAB9ANPC1
SCHEMBL29940391 0.88 MT-CO2 (1.00) MT-CO2PTGS2TOP1RAB9ANPC1
SCHEMBL31607003 0.87 MT-CO2 (0.62) MT-CO2PTGS2TOP1RAB9ACHRM5
SCHEMBL31607048 0.84 MT-CO2 (0.78) MT-CO2PTGS2TOP1RAB9AHPGD

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