SCHEMBL9043498

SCHEMBL9043498

COC(=O)c1ccc(-c2cn(C)cc2C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.43
▸ SETD7 Q8WTS6 1/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ ALDH1A2 O94788 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ALDH1A3 P47895 1/20 0.40
▸ PTGS1 P23219 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
SCHEMBL3722137 0.80 EGFR (0.51) EGFRSETD7CA1CA2CA12
SCHEMBL9041238 0.79 EGFR (0.44) EGFRSETD7CA1CA2CA12
SCHEMBL12670760 0.79 — —
SCHEMBL12670756 0.78 — —
SCHEMBL12670759 0.78 — —
SCHEMBL12670763 0.78 — —
SCHEMBL28577777 0.78 EGFR (0.52) EGFRCA1CA2CA12CA9
SCHEMBL6165708 0.78 ESR2 (0.56) EGFRCA1CA2CA12CA9
SCHEMBL12670671 0.78 — —
SCHEMBL28346865 0.77 ALDH1A1 (0.43) EGFRSETD7CA1CA2CA12

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 5 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
CN-1059723-A Hete rocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1992-03-25 — — CN disclosed
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