SCHEMBL9039632

SCHEMBL9039632

COC(=O)c1ccc(-c2[nH]c(C)cc2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK14 Q16539 2/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA7 P43166 2/20 0.41
XDH P47989 1/20 0.41
NPC1 O15118 2/20 0.40
NFKB1 P19838 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RHEB Q15382 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
SCHEMBL9597920 0.83 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL3722137 0.76 EGFR (0.51) KDM4EALDH1A1TDP1CA1CA2
SCHEMBL9042340 0.75 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL3717515 0.75 ERN1 (0.50) ALDH1A1TDP1CA1CA2CA12
SCHEMBL3281275 0.74 GAA (0.44) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL15996310 0.74 MAOA (0.47) KDM4EALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL6165708 0.74 ESR2 (0.56) KDM4EALDH1A1HPGDTDP1CA1
SCHEMBL28577777 0.74 EGFR (0.52) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL7569920 0.73 TDP1 (0.53) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL9041238 0.72 EGFR (0.44) KDM4EALDH1A1TDP1CA1CA2

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
EP-0480204-B1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO (JP) 1996-03-20 EP disclosed
US-5215994-A Treating or preventing hypertension or heart failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US disclosed
US-5210092-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
EP-0480204-A1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed