SCHEMBL16600623

SCHEMBL16600623

COC(=O)c1cccc(Sc2c(C)[nH]c3c(F)c(Cl)ccc23)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.42
NR4A2 P43354 3/20 0.39
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL671945 0.90 ENPP2 (0.42) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16614261 0.88 ENPP2 (0.49) ENPP2
SCHEMBL16600363 0.82 L3MBTL1 (0.46) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16600182 0.81 ENPP2 (0.42) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16600389 0.79 ENPP2 (0.50) ENPP2NR4A2MRGPRX4ALDH1A1MAPT
SCHEMBL671979 0.78 ENPP2 (0.36) ENPP2MAPT
SCHEMBL16600575 0.77 ENPP2 (0.48) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30147027 0.77 ENPP2 (0.48) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL671757 0.72 ENPP2 (0.51) ENPP2PDE3BPDE3A
SCHEMBL672285 0.72 ENPP2 (0.56) ENPP2TUBB4ATUBBTUBA3CTUBA1B

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-3049405-A1 AUTOTAXIN INHIBITOR COMPOUNDS Pharmakea Inc. (US) 2016-08-03 EP disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 WO disclosed