SCHEMBL28294801

SCHEMBL28294801

CCCCCC(=O)Sc1ccc(CN)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.40
FAAH O00519 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
HSD17B3 P37058 6/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
GHSR Q92847 1/20 0.37
PSIP1 O75475 1/20 0.37
HTR2A P28223 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28294797 0.98 FAAH (0.42) TPSAB1FAAHALDH1A1MEN1MAPT
SCHEMBL28296528 0.98 FAAH (0.42) TPSAB1FAAHALDH1A1MEN1MAPT
SCHEMBL28469002 0.81 HPGD (0.53) ALDH1A1MAPTHSD17B3
SCHEMBL10527420 0.80 RARB (0.59) FAAHALDH1A1MEN1MAPTKMT2A
SCHEMBL10525984 0.80 RARB (0.59) FAAHALDH1A1MEN1MAPTKMT2A
SCHEMBL10530251 0.80 RARB (0.59) FAAHALDH1A1MEN1MAPTKMT2A
SCHEMBL10533452 0.80 RARB (0.59) FAAHALDH1A1MEN1MAPTKMT2A
SCHEMBL10530407 0.80 RARB (0.59) FAAHALDH1A1MEN1MAPTKMT2A
SCHEMBL10526269 0.80 RARB (0.59) FAAHALDH1A1MEN1MAPTKMT2A
SCHEMBL10526047 0.80 RARB (0.59) FAAHALDH1A1MEN1MAPTKMT2A

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-109796383-A 1- sulfur phenenyl-N- acetyl -2- naphthylamines and its derivative and synthetic method 湘潭大学 2019-05-24 CN disclosed