SCHEMBL3321643

SCHEMBL3321643

Cc1cc2nc(C(=O)N(C)C)ccc2c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
GRM2 Q14416 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
DHODH Q02127 2/20 0.36
KDR P35968 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL10284334 0.89 KDM4E (0.49) KDM4ESMN1; SMN2PTGDR2LMNANPC1
SCHEMBL3297610 0.84 KDM4E (0.54) KDM4ESMN1; SMN2GRM2PTGDR2LMNA
SCHEMBL10284333 0.84 KDM4E (0.47) KDM4ESMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL3303954 0.83 KDM4E (0.53) KDM4ESMN1; SMN2PTGDR2LMNANPC1
SCHEMBL27910474 0.82 KDM4E (0.34) KDM4EGRM2MALT1NPC1ALDH1A1
SCHEMBL20021122 0.82 KDM4E (0.52) KDM4ESMN1; SMN2GRM2PTGDR2LMNA
SCHEMBL20020768 0.82 CNR1 (0.45) KDM4ESMN1; SMN2MALT1PTGDR2NPC1
SCHEMBL3323941 0.81 KDM4E (0.51) KDM4ESMN1; SMN2PTGDR2LMNADHODH
SCHEMBL20021183 0.81 KDM4E (0.44) KDM4ESMN1; SMN2GRM2PTGDR2LMNA
SCHEMBL3314187 0.81 KDM4E (0.50) KDM4ESMN1; SMN2PTGDR2LMNADHODH

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
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed