SCHEMBL671669

SCHEMBL671669

Cc1c(Sc2ccccc2B(O)O)c2ccc(Cl)cc2n1-c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.48
CYP1A2 P05177 1/20 0.46
METAP2 P50579 1/20 0.46
MAT2A P31153 13/20 0.45
PRMT5 O14744 2/20 0.45
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL673296 0.83 ENPP2 (0.56) ENPP2CYP1A2METAP2MAT2APRMT5
SCHEMBL19389470 0.82 CYP1A2 (0.47) ENPP2CYP1A2METAP2MAT2APRMT5
SCHEMBL670754 0.79 ENPP2 (0.59) ENPP2CYP1A2METAP2MAT2APRMT5
SCHEMBL671670 0.78 CYP1A2 (0.44) ENPP2CYP1A2METAP2MAT2APRMT5
SCHEMBL28062451 0.78 ENPP2 (0.53) ENPP2CYP1A2METAP2MAT2APRMT5
SCHEMBL672218 0.77 ENPP2 (0.56) ENPP2CYP1A2METAP2MAT2APRMT5
SCHEMBL670590 0.76 ENPP2 (0.55) ENPP2CYP1A2METAP2MAT2APRMT5
SCHEMBL670399 0.76 ENPP2 (0.80) ENPP2CYP1A2METAP2MAT2APRMT5
SCHEMBL671784 0.76 ENPP2 (0.46) ENPP2CYP1A2METAP2MAT2APRMT5
SCHEMBL671004 0.74 ENPP2 (0.65) ENPP2CYP1A2METAP2MAT2APRMT5

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
EP-2606031-A2 AUTOTAXIN INHIBITORS AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-06-26 EP claimed
WO-2012024620-A2 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-02-23 WO claimed