SCHEMBL7189685

SCHEMBL7189685

CC[C@@H](COC(C)=O)Nc1ccc(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.53
MAPT P10636 6/20 0.47
KMT2A Q03164 3/20 0.47
KAT2B Q92831 1/20 0.46
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
VCAM1 P19320 1/20 0.41
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL7185695 1.00 HCAR3 (0.53) HCAR3MAPTKMT2AKAT2BRAB9A
SCHEMBL7190961 0.88 HCAR3 (0.53) HCAR3MAPTKMT2AKAT2BRAB9A
SCHEMBL7184178 0.88 HCAR3 (0.53) HCAR3MAPTKMT2AKAT2BRAB9A
SCHEMBL7178285 0.85 HCAR3 (0.55) HCAR3MAPTKMT2AKAT2BRAB9A
SCHEMBL7183876 0.85 HCAR3 (0.55) HCAR3MAPTKMT2AKAT2BRAB9A
SCHEMBL7188673 0.83 GAA (0.39) HCAR3LMNAPOLBKDM4EALDH1A1
SCHEMBL7190795 0.83 GAA (0.39) HCAR3LMNAPOLBKDM4EALDH1A1
SCHEMBL7182851 0.80 KAT2B (0.54) HCAR3MAPTKMT2AKAT2BRAB9A
SCHEMBL7191253 0.76 MAPT (0.47) MAPTKMT2AKAT2BRAB9ALMNA
SCHEMBL7179435 0.76 KAT2B (0.64) HCAR3MAPTKMT2AKAT2BRAB9A

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