SCHEMBL6589815

SCHEMBL6589815

NC(=O)Oc1cccc2[nH]c(-c3cnccc3OCCCN3CCCCC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.52
DHODH Q02127 3/20 0.47
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
CHEK2 O96017 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
AURKB Q96GD4 2/20 0.40
PIM1 P11309 1/20 0.40
FLT3 P36888 1/20 0.40
PIM3 Q86V86 1/20 0.40
BRSK1 Q8TDC3 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
AURKA O14965 1/20 0.39

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
SCHEMBL6590117 0.99 PARP1 (0.51) PARP1DHODHALDH1A1KDM4EKMT2A
SCHEMBL6583586 0.96 PARP1 (0.51) PARP1DHODHALDH1A1KDM4EKMT2A
SCHEMBL6587192 0.95 PARP1 (0.50) PARP1DHODHKDM4ECHEK2AURKB
SCHEMBL6587697 0.92 AURKB (0.44) PARP1DHODHALDH1A1KDM4EKMT2A
SCHEMBL6587227 0.92 PARP1 (0.44) PARP1DHODHALDH1A1KDM4EKMT2A
SCHEMBL6587787 0.89 AURKA (0.46) PARP1DHODHALDH1A1KDM4EKMT2A
SCHEMBL6805788 0.89 PARP1 (0.67) PARP1DHODHCHEK2AURKBPIM1
SCHEMBL6583719 0.88 PARP1 (0.43) PARP1DHODHALDH1A1KDM4EPOLB
SCHEMBL7534102 0.88 PARP1 (0.43) PARP1DHODHALDH1A1KDM4EAURKB
SCHEMBL6809929 0.88 PARP1 (0.65) PARP1DHODHCHEK2AURKBPIM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed
EP-1177178-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
WO-2000068206-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed