SCHEMBL20020922

SCHEMBL20020922

Cc1cc2nc(CN(C)C)ccc2c(C2=CCCCC2)c1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 2/20 0.41
PSMB5 P28074 5/20 0.34
PSMB1 P20618 1/20 0.34
GRM2 Q14416 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CSF1R P07333 1/20 0.32
DNM1L O00429 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ELANE P08246 1/20 0.32
NLRP3 Q96P20 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAT2A P31153 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL245525 0.78 PSIP1 (0.43) EZH2PSMB5PSMB1
SCHEMBL244658 0.78 PSIP1 (0.43) EZH2PSMB5PSMB1
SCHEMBL27928163 0.77 EZH2 (0.34) EZH2PSMB5
SCHEMBL27928096 0.76 EZH2 (0.34) EZH2CSF1R
SCHEMBL3299227 0.75 PSIP1 (0.35) EZH2PSMB5
SCHEMBL15182616 0.75 PSIP1 (0.35) EZH2PSMB5PSMB1
SCHEMBL27910441 0.74 SMYD3 (0.35) PSMB5PSMB1GRM2SMN1; SMN2KDM4E
SCHEMBL18891991 0.72 GRM2 (0.41) GRM2SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL27903912 0.71 PTPN11 (0.37) LMNAMAPTKDM4E
SCHEMBL246450 0.67 PSIP1 (0.45) PSMB5PSMB1GRM2

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