SCHEMBL28296528

SCHEMBL28296528

CCCCCCCCC(=O)Sc1ccc(CN)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
HTR2A P28223 1/20 0.40
HSD17B3 P37058 5/20 0.39
TPSAB1 Q15661 1/20 0.39
GHSR Q92847 1/20 0.39
EPHX2 P34913 1/20 0.39
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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 1.00 FAAH (0.42) FAAHMEN1ALDH1A1MAPTHTT
SCHEMBL28294801 0.98 TPSAB1 (0.40) FAAHMEN1ALDH1A1MAPTHTT
SCHEMBL28474571 0.81 HPGD (0.51) ALDH1A1MAPTHSD17B3
SCHEMBL28474544 0.81 HPGD (0.51) ALDH1A1MAPTHSD17B3
SCHEMBL28477567 0.81 HPGD (0.51) ALDH1A1MAPTHSD17B3
SCHEMBL10526047 0.81 RARB (0.59) FAAHMEN1ALDH1A1MAPTKMT2A
SCHEMBL10530407 0.81 RARB (0.59) FAAHMEN1ALDH1A1MAPTKMT2A
SCHEMBL10525984 0.81 RARB (0.59) FAAHMEN1ALDH1A1MAPTKMT2A
SCHEMBL10530251 0.81 RARB (0.59) FAAHMEN1ALDH1A1MAPTKMT2A
SCHEMBL10533452 0.81 RARB (0.59) FAAHMEN1ALDH1A1MAPTKMT2A

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