SCHEMBL21765907

SCHEMBL21765907

CCC(=O)Nc1cc(F)c(NC(=O)CC)cc1F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
POLB P06746 3/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.47
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADORA3 P0DMS8 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
ADORA2B P29275 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.44
NR4A1 P22736 1/20 0.43
RAB9A P51151 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL13018932 0.83 SMN1; SMN2 (0.59) TSHRPOLBMAPTHTTKDM4E
SCHEMBL5226832 0.83 PKM (0.60) POLBMAPTHTTKMT2AALDH1A1
SCHEMBL30381367 0.83 PKM (0.60) POLBMAPTHTTKMT2AALDH1A1
SCHEMBL23417746 0.81 TSHR (0.51) TSHRPOLBMAPTHTTKDM4E
SCHEMBL5186769 0.81 RAB9A (0.62) TSHRMAPTHTTKDM4EKMT2A
SCHEMBL8773849 0.81 MEN1 (0.67) TSHRPOLBHTTKDM4EKMT2A
SCHEMBL28135499 0.80 MAPK1 (0.50) POLBHTTKDM4EKMT2AALDH1A1
SCHEMBL19464682 0.80 ALDH1A1 (0.60) TSHRPOLBMAPTKDM4EKMT2A
SCHEMBL21247043 0.79 ADORA3 (0.43) TSHRPOLBMAPTHTTKDM4E
SCHEMBL21765662 0.78 RAB9A (0.41) POLBMAPTKMT2AALDH1A1MEN1

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-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed