SCHEMBL7014963

SCHEMBL7014963

Nc1nc(-c2ccccc2Br)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PSMD14 O00487 1/20 0.42
PRKACA P17612 1/20 0.42
CASP6 P55212 1/20 0.42
CTSB P07858 1/20 0.42
PTPN1 P18031 2/20 0.41
PDE7A Q13946 4/20 0.40
PDE7B Q9NP56 2/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.38
IKBKB O14920 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CLK1 P49759 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL13398588 0.82 HSD17B10 (0.47) HSD17B10KMT2AMEN1PSMD14PRKACA
SCHEMBL28345012 0.82 CASP6 (0.42) HSD17B10KMT2AMEN1PSMD14PRKACA
SCHEMBL14471468 0.82 HSP90AA1 (0.43) KMT2AMEN1PSMD14PRKACACASP6
SCHEMBL994671 0.82 MPL (0.44) KMT2AMEN1PSMD14PRKACACASP6
SCHEMBL2312779 0.78 EIF4E (0.44) KMT2AMEN1PSMD14PRKACACASP6
SCHEMBL4059206 0.78 MEN1 (0.52) KMT2AMEN1PSMD14PRKACACASP6
SCHEMBL1582439 0.73 TDP1 (0.42) HSD17B10KMT2AMEN1CTSBMGAM
Bromide SCHEMBL6299103 0.72 TDP1 (0.41) HSD17B10KMT2AMEN1CTSBMGAM
SCHEMBL7695295 0.71 ALDH1A1 (0.59) HSD17B10KMT2AMEN1CTSBPTPN1
SCHEMBL9887058 0.71 TDP1 (0.54) KMT2AMEN1PSMD14PRKACACASP6

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