SCHEMBL20021096

SCHEMBL20021096

Cc1ccc2c(-c3ccc(Cl)cc3)c(CC(=O)O)c(Cl)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
PTGDR2 Q9Y5Y4 7/20 0.42
LMNA P02545 1/20 0.42
DHODH Q02127 2/20 0.40
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM2 Q14416 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 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
SCHEMBL3297610 0.90 KDM4E (0.54) KDM4ESMN1; SMN2PTGDR2LMNADHODH
SCHEMBL3303954 0.80 KDM4E (0.53) KDM4ESMN1; SMN2PTGDR2LMNADHODH
SCHEMBL20021122 0.79 KDM4E (0.52) KDM4ESMN1; SMN2PTGDR2LMNADHODH
SCHEMBL20021013 0.78 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2PTGDR2LMNADHODH
SCHEMBL3323941 0.78 KDM4E (0.51) KDM4ESMN1; SMN2PTGDR2LMNADHODH
SCHEMBL244574 0.78 MAPT (0.49) LMNADHODHMEN1KMT2AGRM2
SCHEMBL3314187 0.77 KDM4E (0.50) KDM4ESMN1; SMN2PTGDR2LMNADHODH
SCHEMBL20020731 0.76 KDM4E (0.49) KDM4ESMN1; SMN2PTGDR2LMNA
SCHEMBL27928087 0.76 POLB (0.45) KDM4ESMN1; SMN2LMNAMEN1KMT2A
SCHEMBL20020760 0.75 KDM4E (0.48) KDM4ESMN1; SMN2PTGDR2LMNAPKM

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