SCHEMBL8566925

SCHEMBL8566925

CC(c1ccc(-c2ccccc2C#N)cc1)c1c(C(=O)O)ccc(N)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
IKBKB O14920 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
BRS3 P32247 1/20 0.34
PPARG P37231 4/20 0.34
PTPN5 P54829 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MME P08473 1/20 0.33

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
SCHEMBL7433163 0.70 ESR2 (0.56) ESR2IKBKBALDH1A1LMNAPTPN5
SCHEMBL8417438 0.70 MAPT (0.39) ALDH1A1CYP3A4TDP1MEN1LMNA
SCHEMBL9243744 0.69 ESR2 (0.37) ESR2GRIA2GRIA4ALDH1A1CYP3A4
Anthranilic Acid SCHEMBL12475896 0.68 ESR2 (0.50) ESR2GRIA2GRIA4ALDH1A1MAPT
SCHEMBL9243751 0.68 BDKRB1 (0.46) GRIA2GRIA4ALDH1A1CYP3A4MEN1
SCHEMBL7018615 0.66 TDP1 (0.58) ESR2GRIA2GRIA4IKBKBALDH1A1
SCHEMBL22841558 0.66 ESR2 (0.50) ESR2GRIA2GRIA4ALDH1A1CYP3A4
SCHEMBL1369534 0.65 ESR2 (0.61) ESR2GRIA2GRIA4ALDH1A1CYP3A4
SCHEMBL8836998 0.65 ESR2 (0.56) ESR2GRIA2GRIA4ALDH1A1CYP3A4
SCHEMBL14886786 0.65 MCL1 (0.49) ESR2GRIA2GRIA4PTPN5

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-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed
US-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed
US-5703110-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed