SCHEMBL7182913

SCHEMBL7182913

Nc1cc([N+](=O)[O-])ccc1NC1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.69
LMNA P02545 2/20 0.69
ALDH1A1 P00352 1/20 0.69
CRHBP P24387 1/20 0.69
CRHR2 Q13324 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
GAA P10253 4/20 0.58
POLB P06746 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
GFER P55789 2/20 0.52
HCAR3 P49019 2/20 0.51
KDM4E B2RXH2 2/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RIPK1 Q13546 1/20 0.50
ALOX15 P16050 2/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL9396486 0.98 MAPT (0.68) MAPTLMNAALDH1A1CRHBPCRHR2
SCHEMBL30369816 0.94 MAPT (0.60) MAPTLMNAALDH1A1CRHBPCRHR2
SCHEMBL7186411 0.87 MAPT (0.53) MAPTLMNAALDH1A1CRHBPCRHR2
SCHEMBL7186417 0.87 MAPT (0.53) MAPTLMNAALDH1A1CRHBPCRHR2
SCHEMBL1594377 0.85 MAPT (0.54) MAPTLMNAALDH1A1CRHBPCRHR2
SCHEMBL23786250 0.82 MAPT (0.69) MAPTLMNAALDH1A1CRHBPCRHR2
SCHEMBL8607686 0.82 MAPT (0.69) MAPTLMNAALDH1A1CRHBPCRHR2
SCHEMBL28246789 0.82 MAPT (1.00) MAPTLMNAALDH1A1CRHBPCRHR2
SCHEMBL14417267 0.82 MAPT (0.55) MAPTLMNAALDH1A1CRHBPCRHR2
SCHEMBL14410275 0.82 MAPT (0.51) MAPTLMNAALDH1A1CRHBPCRHR2

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
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
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed