SCHEMBL1552887

SCHEMBL1552887

N#Cc1ccc(NC(=O)C[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
PAX8 Q06710 1/20 0.50
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NLRP3 Q96P20 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
KMT2A Q03164 4/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
IL18 Q14116 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
SCHEMBL23322893 0.81 MEN1 (0.59) MAPTLMNAHTTKMT2APOLB
SCHEMBL10963561 0.81 KMT2A (0.54) MAPTSAE1UBA2LMNAHTT
SCHEMBL20941638 0.81 SAE1 (0.62) MAPTSAE1UBA2PAX8LMNA
SCHEMBL11068773 0.80 MAPT (0.43) MAPTLMNAHTTCA12CA1
SCHEMBL694247 0.80 CYP1A1 (0.53) MAPTLMNATSHRHTTCA12
SCHEMBL8688893 0.80 SAE1 (0.57) MAPTSAE1UBA2PAX8LMNA
SCHEMBL2933871 0.78 KMT2A (0.63) MAPTLMNAHTTKMT2AMEN1
SCHEMBL4835086 0.78 MEN1 (0.65) MAPTLMNAHTTKMT2APOLB
SCHEMBL1532371 0.78 POLB (0.63) MAPTLMNAHTTCA12CA1
SCHEMBL572726 0.78 GAA (0.56) MAPTHTTCA12CA1CA2

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-1590332-A1 A PROCESS FOR THE SYNTHESIS OF BISBENZIMIDAZOLES AND ITS DERIVATIONS University of Delhi (IN) 2005-11-02 EP claimed
WO-2004063170-A1 A PROCESS FOR THE SYNTHESIS OF BISBENZIMIDAZOLES AND ITS DERIVATIONS UNIVERSITY OF DELHI (IN) 2004-07-29 WO claimed
EP-1590332-B1 A PROCESS FOR THE SYNTHESIS OF BISBENZIMIDAZOLES AND THEIR DERIVATIVES. UNIV DELHI (IN) 2011-04-27 EP disclosed