SCHEMBL19389367

SCHEMBL19389367

Cc1cc(Sc2c(C)n(-c3cnn(C)c3)c3cc(Cl)ccc23)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 14/20 0.61
MAT2A P31153 2/20 0.36
AKR1B1 P15121 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPK8 P45983 1/20 0.32
PPARG P37231 1/20 0.30
SOS1 Q07889 1/20 0.30

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
SCHEMBL670763 0.88 ENPP2 (0.73) ENPP2AKR1B1PTGDR2MAPK8PPARG
SCHEMBL671880 0.84 ENPP2 (0.62) ENPP2AKR1B1PTGDR2MAPK8
SCHEMBL19389468 0.77 ENPP2 (0.60) ENPP2MAT2AAKR1B1PTGDR2MAPK8
SCHEMBL19750181 0.76 ENPP2 (0.74) ENPP2AKR1B1PTGDR2MAPK8
SCHEMBL670421 0.76 ENPP2 (1.00) ENPP2MAT2AAKR1B1PTGDR2MAPK8
SCHEMBL14127915 0.76 ENPP2 (0.80) ENPP2AKR1B1PTGDR2MAPK8
SCHEMBL19389444 0.76 ENPP2 (0.49) ENPP2MAT2AAKR1B1PTGDR2
SCHEMBL14668191 0.75 ENPP2 (0.73) ENPP2AKR1B1PTGDR2MAPK8
SCHEMBL19389431 0.74 ENPP2 (0.56) ENPP2MAT2AAKR1B1PTGDR2
SCHEMBL19389486 0.74 ENPP2 (0.49) ENPP2MAT2AAKR1B1PTGDR2

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-2606031-B1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2017-09-27 EP disclosed