SCHEMBL7022740

SCHEMBL7022740

CC(=O)Nc1ccc(-c2ccccc2C#N)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ABCB1 P08183 7/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.46
ABCC1 P33527 6/20 0.45
KCNMA1 Q12791 1/20 0.45
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL7019611 0.81 ALDH1A1 (0.47) HTTMAPTPOLBALDH1A1CYP1A2
SCHEMBL2282371 0.80 MAPT (0.68) HTTMAPTNPSR1ABCB1KMT2A
SCHEMBL7021887 0.80 HDAC1 (0.48) HTTMAPTPOLBALDH1A1CYP1A2
SCHEMBL2645986 0.79 ABCB1 (0.66) HTTMAPTNPSR1ABCB1KMT2A
SCHEMBL27763594 0.79 ESR2 (0.47) MAPTKMT2APOLBALDH1A1CYP1A2
SCHEMBL7835151 0.78 CES2 (0.47) MAPTLMNAKMT2AALDH1A1CYP1A2
SCHEMBL1552885 0.77 MAPT (0.59) HTTMAPTNPSR1LMNAKMT2A
SCHEMBL7014519 0.76 HSD17B10 (0.45) MAPTKMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL7018615 0.76 TDP1 (0.58) MAPTNPSR1LMNAKMT2APOLB
SCHEMBL2652739 0.76 ALDH1A1 (0.45) HTTMAPTLMNAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574174-B1 Angiotensin II antagonists LILLY CO ELI (US) 2003-08-13 EP disclosed
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed