SCHEMBL7068552

SCHEMBL7068552

CCC(CCOc1ccc(NC(C)=O)c(NCc2ncc(C(F)(F)F)cc2Cl)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL7068553 0.84 MEN1 (0.45) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL6489028 0.83 L3MBTL1 (0.47) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL6488038 0.82 KMT2A (0.47) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL6501155 0.81 L3MBTL1 (0.42) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL7064560 0.78 HRH3 (0.39) MAPK1L3MBTL1LMNA
SCHEMBL7070085 0.78 MAPT (0.36) KMT2AMEN1CYP1A2SMN1; SMN2NPSR1
SCHEMBL7135143 0.77 SMN1; SMN2 (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL7065211 0.70 IDO1 (0.39) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL10932416 0.67 PPARA (0.44) ALDH1A1
SCHEMBL7068046 0.66 HDAC1 (0.39) KMT2AMEN1NPSR1MAPK1L3MBTL1

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
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO disclosed