SCHEMBL29162159

SCHEMBL29162159

CCN(CCC(C)C)c1ccc(F)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100B P04271 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.35
▸ TERT O14746 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH3A1 P30838 1/20 0.33
▸ ALDH1A3 P47895 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 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
SCHEMBL27537517 0.84 S100B (0.51) S100BALDH1A1L3MBTL1TDP1TSHR
SCHEMBL11301670 0.83 S100B (0.60) S100BALDH1A1L3MBTL1TDP1TSHR
SCHEMBL28245189 0.73 ALDH1A1 (0.41) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL13380632 0.72 S100B (0.44) S100BALDH1A1L3MBTL1TDP1TSHR
SCHEMBL6884063 0.71 ESRRG (0.47) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL13996971 0.71 NPSR1 (0.45) ALDH1A1TSHRCYP3A4GFERKDM4E
SCHEMBL27881647 0.71 S100B (0.54) S100BALDH1A1L3MBTL1TDP1TSHR
SCHEMBL2417791 0.71 TSHR (0.52) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL19654991 0.70 ALDH1A1 (0.42) S100BALDH1A1TSHRCYP3A4MAPK1
SCHEMBL7072231 0.70 ALDH1A1 (0.69) ALDH1A1TSHRCYP3A4HSD17B10

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 disclosed
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