SCHEMBL20020801

SCHEMBL20020801

Cc1cc2nc(NC3CC3)ccc2c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.38
DGAT1 O75907 1/20 0.37
KCNH2 Q12809 1/20 0.37
LMNA P02545 2/20 0.36
DHODH Q02127 2/20 0.35
CNR1 P21554 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
SCHEMBL20021122 0.88 KDM4E (0.52) KDM4ESMN1; SMN2PTGDR2LMNADHODH
SCHEMBL3297610 0.82 KDM4E (0.54) KDM4ESMN1; SMN2PTGDR2LMNADHODH
SCHEMBL3303954 0.81 KDM4E (0.53) KDM4ESMN1; SMN2PTGDR2LMNADHODH
SCHEMBL20021157 0.80 KDM4E (0.44) KDM4ESMN1; SMN2PTGDR2
SCHEMBL20020769 0.79 KDM4E (0.45) KDM4ESMN1; SMN2PTGDR2LMNADHODH
SCHEMBL20021110 0.79 KDM4E (0.45) KDM4ESMN1; SMN2PTGDR2LMNADHODH
SCHEMBL3323941 0.79 KDM4E (0.51) KDM4ESMN1; SMN2PTGDR2LMNADHODH
SCHEMBL3314187 0.78 KDM4E (0.50) KDM4ESMN1; SMN2PTGDR2LMNADHODH
SCHEMBL20020750 0.78 KDM4E (0.41) KDM4ESMN1; SMN2
SCHEMBL3326729 0.77 ACHE (0.47) KDM4ESMN1; SMN2KCNH2LMNA

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
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed