SCHEMBL31478147

SCHEMBL31478147

C/C=C(/C(=O)c1ccc(Cl)cc1)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
RAF1 P04049 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 3/20 0.50
HTT P42858 1/20 0.50
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
GAA P10253 2/20 0.48
MAOA P21397 1/20 0.44

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
SCHEMBL31478222 0.79 RAB9A (0.58) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL5591866 0.78 HPGDS (0.69) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL31478307 0.76 CES2 (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9710026 0.75 CES2 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9710031 0.75 CES2 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL19875715 0.74 RAB9A (0.61) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL19875716 0.74 RAB9A (0.61) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9709882 0.73 DAO (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9709878 0.73 DAO (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7204235 0.73 RAB9A (0.55) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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
WO-2025040089-A1 NOVEL HETEROCYCLIC COMPOUND FOR SELECTIVELY REGULATING CANNABINOID CB1 FUNCTION 德睿智药(苏州)新药研发有限公司 2025-02-27 WO disclosed