SCHEMBL7185675

SCHEMBL7185675

N#Cc1ccc(NC2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HCAR3 P49019 3/20 0.51
KAT2B Q92831 1/20 0.49
VCAM1 P19320 1/20 0.48
MAPT P10636 6/20 0.47
WNK1 Q9H4A3 2/20 0.47
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.44
PKM P14618 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
BCL6 P41182 1/20 0.43
BCOR Q6W2J9 1/20 0.43
MERTK Q12866 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL8248585 0.92 HCAR3 (0.59) KMT2AMEN1L3MBTL1HCAR3KAT2B
SCHEMBL7187372 0.89 MEN1 (0.67) KMT2AMEN1L3MBTL1HCAR3KAT2B
SCHEMBL20333669 0.89 KMT2A (0.63) KMT2AMEN1L3MBTL1HCAR3KAT2B
SCHEMBL4122997 0.88 MEN1 (0.65) KMT2AMEN1L3MBTL1HCAR3KAT2B
SCHEMBL7182042 0.88 MEN1 (0.65) KMT2AMEN1L3MBTL1HCAR3KAT2B
SCHEMBL7185961 0.86 HCAR3 (0.56) KMT2AMEN1L3MBTL1HCAR3KAT2B
SCHEMBL7179398 0.86 HCAR3 (0.53) KMT2AMEN1L3MBTL1HCAR3KAT2B
SCHEMBL7179403 0.86 HCAR3 (0.53) KMT2AMEN1L3MBTL1HCAR3KAT2B
SCHEMBL7185959 0.86 HCAR3 (0.56) KMT2AMEN1L3MBTL1HCAR3KAT2B
SCHEMBL7183448 0.85 HCAR3 (0.52) KMT2AMEN1L3MBTL1HCAR3KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed