SCHEMBL16670341

SCHEMBL16670341

CC(=O)C(CCc1cccc(F)c1C(=O)Nc1ccccc1)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ITGB1 P05556 4/20 0.43
ITGA4 P13612 4/20 0.43
GAA P10253 2/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
HTT P42858 1/20 0.41
NOD2 Q9HC29 1/20 0.41
CTSL P07711 1/20 0.40
RAB9A P51151 4/20 0.40
TRPA1 O75762 1/20 0.40
BRAF P15056 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 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
SCHEMBL16670340 0.80 ITGB1 (0.43) MEN1KMT2AITGB1ITGA4GAA
SCHEMBL16583355 0.74 MEN1 (0.44) MEN1KMT2AITGB1ITGA4GAA
SCHEMBL3718009 0.73 SMN1; SMN2 (0.52) MEN1KMT2AHTTRAB9ANPC1
SCHEMBL30739749 0.72 JAK2 (0.71) MEN1KMT2AGAAJAK2JAK1
SCHEMBL16583943 0.72 GAA (0.59) MEN1KMT2AITGB1ITGA4GAA
SCHEMBL16677246 0.70 F2R (0.49) MEN1KMT2AGAAJAK2JAK1
SCHEMBL16583403 0.69 LMNA (0.48) MEN1KMT2AITGB1ITGA4GAA
SCHEMBL16584740 0.69 F10 (0.43) MEN1KMT2AITGB1ITGA4GAA
SCHEMBL28326824 0.67 KMT2A (0.73) MEN1KMT2AGAAJAK2JAK1
SCHEMBL19576319 0.67 GAA (0.43) MEN1KMT2AITGB1ITGA4GAA

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