SCHEMBL6583586

SCHEMBL6583586

NC(=O)Oc1cccc2[nH]c(-c3cnccc3OCCN3CCCCC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.51
DHODH Q02127 2/20 0.51
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHEK2 O96017 1/20 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
AURKB Q96GD4 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ACHE P22303 2/20 0.39
GNRHR P30968 3/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
WNT1 P04628 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL6587192 0.99 PARP1 (0.50) PARP1DHODHKDM4ESMN1; SMN2CHEK2
SCHEMBL6589815 0.96 PARP1 (0.52) PARP1DHODHKDM4ECHEK2PIM1
SCHEMBL6590117 0.95 PARP1 (0.51) PARP1DHODHKDM4ECHEK2PIM1
SCHEMBL7534102 0.92 PARP1 (0.43) PARP1DHODHKDM4EPIM1FLT3
SCHEMBL6583719 0.92 PARP1 (0.43) PARP1DHODHKDM4EPIM1PIM3
SCHEMBL6584782 0.89 AURKA (0.46) PARP1DHODHKDM4EAURKBGNRHR
SCHEMBL6810652 0.89 PARP1 (0.66) PARP1DHODHCHEK2PIM1FLT3
SCHEMBL6587697 0.88 AURKB (0.44) PARP1DHODHKDM4EPIM1PIM3
SCHEMBL6587227 0.88 PARP1 (0.44) PARP1DHODHKDM4EPIM1FLT3
SCHEMBL6806298 0.88 PARP1 (0.65) PARP1DHODHCHEK2PIM1FLT3

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