SCHEMBL4445280

SCHEMBL4445280

NC(=O)c1ccc(Cc2cc(C(F)(F)F)nc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.53
PLA2G10 O15496 1/20 0.50
PLA2G2A P14555 1/20 0.50
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
PDPK1 O15530 1/20 0.42
IGF1R P08069 3/20 0.41
CHEK2 O96017 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MAPT P10636 1/20 0.40
LIMK1 P53667 1/20 0.40
SLC2A1 P11166 1/20 0.40
MAPK1 P28482 1/20 0.40
VNN1 O95497 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39

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
SCHEMBL4055914 0.90 ADAM17 (0.55) ADAM17ADORA2AADORA1IGF1RTLR7
SCHEMBL6211915 0.84 ADAM17 (0.53) ADAM17IGF1RTLR7MAPTNPC1
SCHEMBL31326856 0.84 TLR7 (0.50) ADAM17ADORA2AADORA1IGF1RTLR7
SCHEMBL31326858 0.84 TLR7 (0.50) ADAM17ADORA2AADORA1IGF1RTLR7
SCHEMBL7257033 0.81 ADAM17 (0.55) ADAM17PLA2G10PLA2G2ACHEK2MAPT
SCHEMBL4449639 0.79 ADAM17 (0.52) ADAM17PLA2G10PLA2G2ACHEK2TLR7
SCHEMBL6632653 0.79 ADAM17 (0.47) ADAM17ADORA2AADORA1IGF1RTLR7
SCHEMBL4053152 0.78 TLR7 (0.45) ADAM17ADORA2AADORA1IGF1RTLR7
SCHEMBL5271308 0.76 NCOA1 (0.55) ADORA2AADORA1IGF1RTLR7MAPT
SCHEMBL3618520 0.75 ADORA2A (0.56) ADAM17ADORA2AADORA1IGF1RTLR7

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
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed