SCHEMBL28062467

SCHEMBL28062467

CCCC(=O)OCCc1cccc(Sc2c(C)n(-c3cccnc3)c3cc(Cl)ccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.51
MAT2A P31153 9/20 0.41
PRMT5 O14744 2/20 0.41
CYP3A4 P08684 1/20 0.41
AKR1B1 P15121 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
CYP1A2 P05177 1/20 0.37
METAP2 P50579 1/20 0.37
MCL1 Q07820 1/20 0.37
MAPK8 P45983 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL28062455 0.94 ENPP2 (0.51) ENPP2MAT2APRMT5CYP3A4AKR1B1
SCHEMBL28062456 0.91 ENPP2 (0.53) ENPP2MAT2APRMT5CYP3A4AKR1B1
SCHEMBL670444 0.87 ENPP2 (0.54) ENPP2MAT2APRMT5CYP3A4AKR1B1
SCHEMBL671374 0.83 ENPP2 (0.59) ENPP2MAT2APRMT5CYP3A4AKR1B1
SCHEMBL671281 0.80 ENPP2 (0.53) ENPP2MAT2APRMT5CYP3A4AKR1B1
SCHEMBL671724 0.79 ENPP2 (0.52) ENPP2MAT2APRMT5CYP3A4AKR1B1
SCHEMBL670399 0.79 ENPP2 (0.80) ENPP2MAT2APRMT5CYP3A4AKR1B1
SCHEMBL671004 0.79 ENPP2 (0.65) ENPP2MAT2APRMT5CYP3A4CYP1A2
SCHEMBL671544 0.78 ENPP2 (0.51) ENPP2CYP3A4AKR1B1PTGDR2CYP1A2
SCHEMBL670405 0.78 ENPP2 (0.56) ENPP2MAT2APRMT5CYP3A4AKR1B1

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
CN-103201262-B Autotaxin inhibitors and application thereof AMIRA PHARMACEUTICALS, INC. (US) 2016-06-01 CN disclosed