SCHEMBL4067225

SCHEMBL4067225

Cc1cc(C)c(C#N)c(C)n1.Cc1cc(C)c(C#N)c(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 3/20 0.49
TSHR P16473 3/20 0.49
ALDH1A1 P00352 6/20 0.45
HPGD P15428 4/20 0.45
RECQL P46063 2/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.42
PPARG P37231 1/20 0.42
STAT3 P40763 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL29420807 0.93 KDM4E (0.60) KDM4EL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL318407 0.93 KDM4E (0.60) KDM4EL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL4066614 0.89 KDM4E (0.64) KDM4EL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL4071607 0.80 RECQL (0.59) KDM4EL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL30630982 0.77 KDM4E (0.46) KDM4EL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL9454917 0.77 KDM4E (0.46) KDM4EL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL29496331 0.77 L3MBTL1 (0.57) KDM4EL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL9820164 0.77 KDM4E (0.46) KDM4EL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL534956 0.77 L3MBTL1 (0.57) KDM4EL3MBTL1MEN1KMT2AHSD17B10
SCHEMBL10074682 0.77 KDM4E (0.46) KDM4EL3MBTL1MEN1KMT2AHSD17B10

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
EP-1706412-A4 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS CO LTD (KR) 2009-03-18 EP disclosed
EP-1706412-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK Chemicals, Co., Ltd. (KR) 2006-10-04 EP disclosed
WO-2005063768-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS, CO., LTD. (KR) 2005-07-14 WO disclosed