SCHEMBL7186417

SCHEMBL7186417

Nc1cc([N+](=O)[O-])ccc1N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 4/20 0.50
GAA P10253 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 2/20 0.50
GFER P55789 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
HCAR3 P49019 3/20 0.47
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 2/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL7186411 1.00 MAPT (0.53) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL30369816 0.93 MAPT (0.60) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL7182913 0.87 MAPT (0.69) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL9396486 0.86 MAPT (0.68) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL6941586 0.81 MAPT (0.58) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL6941409 0.81 MAPT (0.58) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL1594377 0.81 MAPT (0.54) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL6941411 0.81 MAPT (0.58) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL6940663 0.78 MAPT (0.52) MAPTALDH1A1LMNACRHBPCRHR2
SCHEMBL14417267 0.78 MAPT (0.55) MAPTALDH1A1LMNACRHBPCRHR2

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