SCHEMBL9192588

SCHEMBL9192588

CCCCCNc1ccc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.77
MAPT P10636 3/20 0.68
ALDH1A1 P00352 2/20 0.68
RAB9A P51151 2/20 0.68
NPC1 O15118 2/20 0.68
PKM P14618 2/20 0.68
CRHBP P24387 1/20 0.68
CRHR2 Q13324 1/20 0.68
PTGER4 P35408 1/20 0.64
PRSS1 P07477 4/20 0.58
LMNA P02545 1/20 0.57
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.54

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
SCHEMBL5315342 0.91 MAPT (0.81) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL9043097 0.90 MAPT (0.84) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL9195511 0.90 HCAR3 (0.62) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL15321333 0.89 MAPT (0.82) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL19436444 0.89 PRSS1 (0.64) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL6044024 0.87 HCAR3 (1.00) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL11242963 0.86 HCAR3 (0.97) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL763439 0.86 HCAR3 (0.62) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL11208444 0.86 HCAR3 (0.97) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL6044600 0.86 HCAR3 (0.97) HCAR3MAPTALDH1A1RAB9ANPC1

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