SCHEMBL9192581

SCHEMBL9192581

CCCCC(=O)Nc1ccc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.64
KMT2A Q03164 4/20 0.64
CRHBP P24387 2/20 0.64
CRHR2 Q13324 2/20 0.64
MEN1 O00255 1/20 0.64
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
HCAR3 P49019 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
PTGER4 P35408 1/20 0.51

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
SCHEMBL9043092 0.91 KMT2A (0.72) MAPTKMT2ACRHBPCRHR2MEN1
SCHEMBL9195505 0.90 MAPT (0.55) MAPTKMT2ACRHBPCRHR2MEN1
SCHEMBL7568813 0.88 HCAR3 (0.69) MAPTKMT2ACRHBPCRHR2MEN1
SCHEMBL8391902 0.84 MAPT (0.78) MAPTKMT2ACRHBPCRHR2MEN1
SCHEMBL7572903 0.83 MAPT (0.56) MAPTKMT2ACRHBPCRHR2MEN1
SCHEMBL7574965 0.82 MAPT (0.51) MAPTKMT2ACRHBPCRHR2MEN1
SCHEMBL12388226 0.82 MAPT (0.56) MAPTKMT2ACRHBPCRHR2MEN1
SCHEMBL8396995 0.82 NPC1 (0.72) MAPTKMT2ACRHBPCRHR2MEN1
SCHEMBL9192588 0.81 HCAR3 (0.77) MAPTKMT2ACRHBPCRHR2RAB9A
SCHEMBL29086200 0.81 KMT2A (0.62) MAPTKMT2ACRHBPCRHR2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425921-B1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-09 EP disclosed
US-5250554-A Cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-05 US disclosed
US-5128356-A Angiotensin antagonist; cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-07-07 US disclosed
EP-0425921-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-05-08 EP disclosed