SCHEMBL244637

SCHEMBL244637

CCCCOC(C(=O)O)c1c(C)cc2nc(CN(C)c3ccccc3)ccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.37
MOK Q9UQ07 1/20 0.33
DHODH Q02127 2/20 0.33
LTB4R Q15722 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LIPE Q05469 1/20 0.32
PLA2G2A P14555 1/20 0.32

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
SCHEMBL27928099 0.88 MCHR1 (0.36) MCHR1
SCHEMBL27928101 0.87 DHODH (0.36) MCHR1DHODHLTB4R
SCHEMBL244600 0.86 PSIP1 (0.43) MCHR1DHODH
SCHEMBL244061 0.86 PSIP1 (0.43) MCHR1DHODH
SCHEMBL27910456 0.84 DHODH (0.34) MCHR1DHODHKDM4EMEN1ALDH1A1
SCHEMBL27910460 0.84 DHODH (0.37) DHODH
SCHEMBL27928069 0.83 DHODH (0.34) DHODH
SCHEMBL3310645 0.82 MCHR1 (0.37) MCHR1DHODHKDM4EMEN1ALDH1A1
SCHEMBL243156 0.82 MCHR1 (0.37) MCHR1DHODHKDM4EMEN1ALDH1A1
SCHEMBL27928079 0.81 DHODH (0.36) DHODHKDM4EMEN1ALDH1A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103209963-A 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES INC 2013-07-17 CN disclosed
EP-2588455-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed