SCHEMBL16596265

SCHEMBL16596265

N#C/C(=C\c1cn(CCc2ccc(F)cc2)c2cc(Cl)ccc12)c1ccc(C(=O)OI)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.49
▸ MAPT P10636 5/20 0.42
▸ APP P05067 2/20 0.40
▸ SNCA P37840 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ PTPN7 P35236 2/20 0.35
▸ PTPN12 Q05209 2/20 0.35
▸ PTPN22 Q9Y2R2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL16596256 0.90 ENPP2 (0.61) ENPP2MAPTAPPSNCAKMT2A
SCHEMBL17958360 0.90 ENPP2 (0.61) ENPP2MAPTAPPSNCAKMT2A
SCHEMBL17971218 0.87 ENPP2 (0.49) ENPP2MAPTAPPSNCAKMT2A
SCHEMBL17958356 0.84 ENPP2 (0.59) ENPP2MAPTAPPSNCAKMT2A
SCHEMBL17958357 0.84 ENPP2 (0.59) ENPP2MAPTAPPSNCAKMT2A
SCHEMBL16596300 0.82 ENPP2 (0.54) ENPP2MAPTAPPSNCAKMT2A
SCHEMBL16586424 0.81 ENPP2 (0.69) ENPP2MAPTAPPSNCAKMT2A
SCHEMBL16586422 0.81 ENPP2 (0.69) ENPP2MAPTAPPSNCAKMT2A
SCHEMBL16596433 0.81 ENPP2 (0.51) ENPP2MAPTAPPSNCAKMT2A
SCHEMBL16596431 0.80 ENPP2 (0.50) ENPP2MAPTAPPSNCAKMT2A

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-2015042053-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-03-26 — — WO disclosed
US-8952016-B2 Substituted xanthine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-02-10 — — US disclosed
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