SCHEMBL7449708

SCHEMBL7449708

N#Cc1ccc(NCCc2nc3cc(C(N)CC(=O)N4CCCC4)ccc3[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.42
CFD P00746 7/20 0.39
DPP7 Q9UHL4 1/20 0.36
FPR1 P21462 4/20 0.35
FPR2 P25090 4/20 0.35
DPP4 P27487 1/20 0.35
PARP1 P09874 3/20 0.35
PARP2 Q9UGN5 1/20 0.35
SCN7A Q01118 1/20 0.34
KCNH2 Q12809 1/20 0.34
CDK1 P06493 1/20 0.34
DGAT2 Q96PD7 1/20 0.34

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
SCHEMBL7410295 0.82 LMNA (0.39) DPP7DPP4
SCHEMBL7415541 0.76 F2 (0.48) CFD
SCHEMBL7450500 0.71 MLLT1 (0.39) MLLT1DGAT2
SCHEMBL7446447 0.71 F2 (0.40) MLLT1PARP1PARP2DGAT2
SCHEMBL7447141 0.70 MLLT1 (0.37) MLLT1DPP7
SCHEMBL7421110 0.70 MLLT1 (0.38) MLLT1DGAT2
SCHEMBL7447512 0.69 MLLT1 (0.37) MLLT1DGAT2
SCHEMBL7556081 0.69 DGAT2 (0.38) MLLT1PARP1PARP2DGAT2
SCHEMBL7445649 0.69 MLLT1 (0.37) MLLT1DGAT2
SCHEMBL6457229 0.69 F2 (0.41) MLLT1

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-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed