SCHEMBL5414092

SCHEMBL5414092

CCOCCNc1ncc(-c2ccc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)cc2)cc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37

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
SCHEMBL4907603 0.93 IKBKE (0.39) CHRNA7MEN1KMT2ALMNAMAPT
SCHEMBL4909855 0.90 IKBKE (0.37) CHRNA7IKBKETBK1
SCHEMBL4909671 0.86 DAO (0.39) CHRNA7
SCHEMBL4909354 0.85 CHRNA7 (0.42) CHRNA7MEN1KMT2ALMNAMAPT
SCHEMBL4910399 0.83 CD274 (0.42)
SCHEMBL5225615 0.82 DAO (0.38)
SCHEMBL4907263 0.82 IKBKE (0.44) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL4904828 0.81 DAO (0.41)
SCHEMBL4906966 0.80 IKBKE (0.42) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL4903831 0.76 DAO (0.39)

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-1861393-A2 PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS AstraZeneca AB (SE) 2007-12-05 EP disclosed
WO-2006092599-A2 PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS ASTRAZENECA AB (SE) 2006-09-08 WO disclosed