SCHEMBL16677246

SCHEMBL16677246

CCCC(=O)Cc1cccc(F)c1C(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 3/20 0.49
GAA P10253 2/20 0.47
TRPA1 O75762 3/20 0.46
HTT P42858 2/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
NOD2 Q9HC29 1/20 0.46
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
BCAT2 O15382 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL19255780 0.78 F2R (0.60) F2RGAATRPA1RAB9AMAPT
SCHEMBL16670340 0.77 ITGB1 (0.43) GAATRPA1HTTJAK2JAK1
SCHEMBL8677157 0.77 VNN1 (0.50) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL30739749 0.77 JAK2 (0.71) GAAHTTJAK2JAK1TYK2
SCHEMBL18642994 0.75 F2R (0.49) F2RGAATYK2CYP1A2MEN1
SCHEMBL14402655 0.74 RIPK1 (0.46) F2RMEN1KMT2AALDH1A1KDM4E
SCHEMBL18642732 0.74 TYK2 (0.48) F2RGAAJAK2JAK1TYK2
SCHEMBL16583943 0.73 GAA (0.59) F2RGAATRPA1HTTJAK2
SCHEMBL28326824 0.71 KMT2A (0.73) GAAHTTJAK2JAK1TYK2
SCHEMBL19576334 0.71 GAA (0.56) GAAHTTJAK2JAK1TYK2

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-2015061204-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2015-04-30 WO disclosed