SCHEMBL6205378

SCHEMBL6205378

O=C1[N]c2cc(Nc3ccccc3)c(Cc3ccc(Cl)c(Cl)c3)cc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
BLM P54132 2/20 0.40
RECQL P46063 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
TBXA2R P21731 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGFR P43088 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
PTGIR P43119 1/20 0.37
PTGDR Q13258 1/20 0.37
MAPK1 P28482 3/20 0.36
PRKCD Q05655 2/20 0.36
CHEK1 O14757 1/20 0.36
ROCK2 O75116 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
SCHEMBL6204330 0.89 CNR1 (0.39) KMT2AMEN1TDP1BLMMAPK1
SCHEMBL6203291 0.87 EGFR (0.39) KMT2AMEN1TDP1BLMMAPK1
SCHEMBL6205452 0.87 EGFR (0.36) KMT2AMEN1TDP1BLMMAPK1
SCHEMBL6202957 0.87 ALDH1A1 (0.35) KMT2AMEN1TDP1BLMRECQL
SCHEMBL6204202 0.85 CXCR2 (0.36) KMT2AMEN1TDP1BLMMAPK1
SCHEMBL6203101 0.84 NPC1 (0.38) KMT2AMEN1TDP1BLMMAPK1
SCHEMBL6204448 0.83 MAPT (0.34) KMT2AMEN1TDP1BLMMAPK1
SCHEMBL6206042 0.82 CYP3A4 (0.43) KMT2AMEN1TDP1ALDH1A1LMNA
SCHEMBL6204891 0.82 MAPT (0.38) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL6202905 0.80 LTA4H (0.41) KMT2AMEN1GSK3BLMNAMAPT

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
EP-1539708-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-06-15 EP disclosed
WO-2004024699-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed