SCHEMBL18496643

SCHEMBL18496643

Cc1cc(Cl)c2ccc(C(=O)O)c(C)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
PPARA Q07869 1/20 0.50
GPR35 Q9HC97 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 5/20 0.47
HTT P42858 2/20 0.47
PKM P14618 1/20 0.47
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.42
CRHR1 P34998 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EPRS1 P07814 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL18496651 0.84 KDM4E (0.48) MAPTGPR35L3MBTL1KDM4EHTT
SCHEMBL18496650 0.83 PPARA (0.42) MAPTPPARAGPR35L3MBTL1KDM4E
SCHEMBL25096343 0.78 MAPT (0.50) MAPTPPARAL3MBTL1KDM4EHTT
SCHEMBL461099 0.77 MAPT (0.69) MAPTL3MBTL1KDM4EHTTPKM
SCHEMBL7686855 0.77 MAPT (0.67) MAPTPPARAGPR35L3MBTL1KDM4E
SCHEMBL10005935 0.75 MAPT (0.72) MAPTL3MBTL1KDM4EHTTPKM
SCHEMBL3901240 0.74 PPARA (0.49) MAPTPPARAL3MBTL1KDM4EHTT
SCHEMBL13738586 0.73 CCR1 (0.52) MAPTPKMLMNAKMT2AALDH1A1
SCHEMBL9732129 0.71 MAPT (0.61) MAPTL3MBTL1KDM4EHTTPKM
SCHEMBL29410744 0.71 MAPT (0.61) MAPTL3MBTL1KDM4EHTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017025493-A1 QUINOLINE EZH2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-16 WO disclosed
WO-2017025493-A1 QUINOLINE EZH2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-16 WO disclosed