SCHEMBL5332492

SCHEMBL5332492

C=CCc1nc2ncccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.50
TP53 P04637 5/20 0.47
CYP2C9 P11712 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
METAP1 P53582 2/20 0.45
METAP2 P50579 1/20 0.45
HPGD P15428 3/20 0.44
DRD4 P21917 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
PDE5A O76074 3/20 0.42
AURKA O14965 3/20 0.41
ALDH1A1 P00352 1/20 0.40
BACE1 P56817 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7002580 0.80 NUDT1 (0.58) NUDT1TP53CYP2C9NOS1NOS2
SCHEMBL2314765 0.77 DDAH1 (0.55) NUDT1TP53CYP2C9NOS1NOS2
SCHEMBL4773954 0.77 NUDT1 (0.59) NUDT1TP53CYP2C9NOS1NOS2
SCHEMBL4347800 0.77 NUDT1 (0.55) NUDT1TP53CYP2C9NOS1NOS2
SCHEMBL6216010 0.77 NUDT1 (0.55) NUDT1TP53CYP2C9NOS1NOS2
SCHEMBL31587712 0.77 NUDT1 (0.55) NUDT1TP53CYP2C9NOS1NOS2
SCHEMBL3967813 0.77 NUDT1 (0.55) NUDT1TP53CYP2C9NOS1NOS2
Quinoline SCHEMBL28872941 0.77 NPC1 (0.50) TP53HPGDDRD4SMN1; SMN2NPC1
SCHEMBL6614094 0.77 CYP2C9 (0.44) NUDT1TP53CYP2C9NOS1NOS2
Hydrochloric Acid SCHEMBL5864683 0.76 NUDT1 (0.53) NUDT1TP53CYP2C9NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101336262-A Chromane-substituted 2-alkyl imidazopyridine derivatives and their use as acid pump antagonists GEN ELECTRIC (US) 2008-12-31 CN disclosed
WO-2007026218-A2 CHROMANE SUBSTITUTED 2-ALKYL IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS ACID PUMP ANTAGONISTS PFIZER JAPAN INC. (JP) 2007-03-08 WO disclosed
EP-0517812-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1995-10-18 EP disclosed
US-5449682-A Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1995-09-12 US disclosed
US-5412097-A Heterocyclic compounds bearing acidic functional groups as angiotensin II antagonists MERCK & CO., INC. (US) 1995-05-02 US disclosed
US-5332744-A Hypotensive, congestive heart failure, intraocular pressure MERCK & CO., INC. (US) 1994-07-26 US disclosed
US-5240938-A Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring MERCK & CO., INC. (US) 1993-08-31 US disclosed
US-5187159-A Hypotensive agents, psychological disorders MERCK & CO., INC. (US) 1993-02-16 US disclosed
US-5177074-A Heterocyclic nitrogen compounds used to treat hypertension, cognitive dysfunction, anxiety or depression MERCK & CO., INC. (US) 1993-01-05 US disclosed
EP-0517812-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-16 EP disclosed
EP-0513979-A1 Angiotensin II antagonists incorporating a substituted thiophene or furan MERCK & CO. INC. (US) 1992-11-19 EP disclosed
EP-0510813-A1 Angiotensin II antagonists incorporating a nitrogen containing six membered ring heterocycle MERCK & CO. INC. (US) 1992-10-28 EP disclosed
US-5157026-A Oxo-purines as angiotensin II antagonists MERCK & CO., INC. (US) 1992-10-20 US disclosed
EP-0503838-A2 Heterocyclic compounds bearing acidic functional groups as angiotensin II antagonists MERCK & CO. INC. (US) 1992-09-16 EP disclosed
US-5128327-A Hypotensive agents; congestive heart failure; antidepressants; anxiolytic agents; cognition activators MERCK & CO., INC. (US) 1992-07-07 US disclosed
US-5102880-A Biphenyl imidazotriazine derivatives; Hypotensive and cardiotonic agents MERCK & CO., INC. (US) 1992-04-07 US disclosed
WO-1991011999-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed
EP-0400974-A2 Substituted imidazo-fused 6-membered heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1990-12-05 EP disclosed