SCHEMBL5263131

SCHEMBL5263131

Cc1[nH]c(C(=O)Nc2ccc(-c3cc(C(=O)O)no3)cc2)c(Cl)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ACR P10323 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPKAPK2 P49137 1/20 0.47

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
SCHEMBL4898847 0.86 ACR (0.67) HPGDHSD17B10ACRMEN1KMT2A
SCHEMBL4912128 0.80 PTPN1 (0.50) HPGDMAPTALDH1A1MAPKAPK2
SCHEMBL4908579 0.79 KMO (0.48)
SCHEMBL29717252 0.77 TOP2A (0.56)
SCHEMBL4903739 0.76 SCN10A (0.51)
SCHEMBL4901768 0.75 DAO (0.46)
SCHEMBL4909723 0.75 TOP2A (0.49)
SCHEMBL4909172 0.74 MAPT (0.49) MEN1KMT2AMAPTALDH1A1MAPKAPK2
SCHEMBL5266303 0.74 DAO (0.45)
SCHEMBL5256434 0.72 NPC1 (0.42)

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 4 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 claimed
WO-2006092599-A2 PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS ASTRAZENECA AB (SE) 2006-09-08 WO claimed
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