SCHEMBL9178635

SCHEMBL9178635

CC(C)(C)OC(=O)c1ccc(-c2c(C#N)sc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GABRA1 P14867 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRA2 P47869 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ ATM Q13315 2/20 0.36
▸ KMT2A Q03164 2/20 0.36

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
SCHEMBL9175954 0.81 ALDH1A1 (0.47) L3MBTL1ALDH1A1NPSR1NPC1
SCHEMBL9175334 0.74 TNKS (0.42) L3MBTL1CA12CA1CA2CA9
SCHEMBL9169122 0.72 CA12 (0.46) CA12CA1CA2CA9CA14
SCHEMBL9168167 0.71 ALDH1A1 (0.38) L3MBTL1ALDH1A1NPSR1KMT2AMEN1
SCHEMBL9168133 0.71 PTPN1 (0.46) L3MBTL1ALDH1A1KMT2AMEN1TDP1
SCHEMBL6355405 0.70 CA12 (0.63) L3MBTL1CA12CA1CA2CA9
SCHEMBL6350965 0.69 CA12 (0.71) CA12CA1CA2CA9CA14
SCHEMBL9173922 0.69 PTPN1 (0.43) L3MBTL1ALDH1A1KMT2AMEN1TDP1
Methylamine SCHEMBL8701837 0.69 GPR119 (0.53) CA12CA1CA2CA9CA14
SCHEMBL2671976 0.68 CA1 (0.50) L3MBTL1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 — — EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 — — US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 — — WO disclosed
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