SCHEMBL8396995

SCHEMBL8396995

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

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
MAPT P10636 4/20 0.62
LMNA P02545 3/20 0.62
KMT2A Q03164 2/20 0.62
MAPK1 P28482 2/20 0.62
MEN1 O00255 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALDH1A1 P00352 6/20 0.55
POLB P06746 1/20 0.54
KCNMA1 Q12791 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL12388226 0.86 MAPT (0.56) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL10977960 0.86 RAB9A (0.63) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL7568813 0.84 HCAR3 (0.69) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL8391902 0.83 MAPT (0.78) NPC1RAB9AMAPTKMT2AMAPK1
SCHEMBL9043092 0.83 KMT2A (0.72) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL9192581 0.82 MAPT (0.64) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL31159595 0.82 ALDH1A1 (0.63) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL27768183 0.82 RAB9A (0.62) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL28619596 0.82 LMNA (0.60) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL7572903 0.80 MAPT (0.56) NPC1RAB9AMAPTLMNAKMT2A

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
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed