SCHEMBL29162115

SCHEMBL29162115

CCN(c1ccc(C)cc1)c1ccc(C)c(NF)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S100B P04271 1/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR3C2 P08235 1/20 0.33
RPS6KA2 Q15349 1/20 0.32
RAB9A P51151 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
RECQL P46063 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31

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
SCHEMBL30705197 1.00 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2S100BLMNA
SCHEMBL6858562 0.81 S100B (0.52) ALDH1A1MAPTSMN1; SMN2S100BLMNA
SCHEMBL516438 0.76 ALDH1A1 (0.50) ALDH1A1MAPTS100BTDP1L3MBTL1
SCHEMBL27604343 0.75 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2S100BGAA
SCHEMBL27315444 0.72 RAPGEF4 (0.54) ALDH1A1LMNAGAAKDM4ETP53
SCHEMBL1262833 0.72 ALDH1A1 (0.38) ALDH1A1MAPTS100BGAAKDM4E
SCHEMBL9659970 0.71 S100B (0.38) ALDH1A1MAPTSMN1; SMN2S100BLMNA
SCHEMBL23046735 0.70 S100B (0.45) ALDH1A1MAPTSMN1; SMN2S100BLMNA
SCHEMBL13242006 0.70 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL31305272 0.70 HTT (0.47) ALDH1A1MAPTLMNAKDM4ETP53

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-117098671-A Compositions and methods for sensitizing thermal media 索理思科技开曼公司 2023-11-21 CN claimed