SCHEMBL19996766

SCHEMBL19996766

O=C1[C@@H]2Cc3c(n(Cc4ccc(F)cc4)c4ccccc34)CN2C(O)N1CC1(C(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.55
▸ HDAC6 Q9UBN7 12/20 0.46
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ TBXA2R P21731 3/20 0.39
▸ PTGDR Q13258 3/20 0.39
▸ PTGDR2 Q9Y5Y4 3/20 0.39
▸ EPHX2 P34913 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
SCHEMBL20248011 0.85 ENPP2 (0.70) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL20248008 0.84 HDAC6 (0.43) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL16750279 0.84 ENPP2 (0.75) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL20248012 0.84 ENPP2 (0.65) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL20248014 0.83 ENPP2 (0.55) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL20206465 0.79 ENPP2 (0.53) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL19996789 0.76 ENPP2 (0.58) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL19996787 0.75 ENPP2 (0.68) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL20248013 0.73 ENPP2 (0.52) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL16750265 0.73 ENPP2 (0.85) ENPP2HDAC6HDAC1HDAC4HDAC2

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
US-9926318-B2 Tetracyclic autotaxin inhibitors PHARMAKEA, INC. (US) 2018-03-27 — — US disclosed
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