SCHEMBL9175334

SCHEMBL9175334

CC(C)(C)OC(=O)c1ccc(-c2c(C#N)oc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 3/20 0.42
▸ PTPN1 P18031 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
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 3/20 0.35

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
SCHEMBL9176872 0.81 TNKS (0.51) TNKSPTPN1CA12CA1CA2
SCHEMBL7012510 0.75 PDE9A (0.47) TNKSPTPN1L3MBTL1ALDH1A1NPC1
SCHEMBL11552940 0.74 ADORA2A (0.51) TNKSPTPN1CA12CA1CA2
SCHEMBL9178635 0.74 L3MBTL1 (0.41) PTPN1CA12CA1CA2CA9
SCHEMBL9176674 0.71 TNKS (0.40) TNKSPTPN1CA1CA2ALDH1A1
SCHEMBL9169243 0.71 PTPN1 (0.42) TNKSPTPN1KCNH2ALDH1A1RAB9A
Methylamine SCHEMBL8701837 0.71 GPR119 (0.53) PTPN1CA12CA1CA2CA9
SCHEMBL9173605 0.71 CA12 (0.45) PTPN1CA12CA1CA2CA9
SCHEMBL6355405 0.70 CA12 (0.63) PTPN1CA12CA1CA2CA9
SCHEMBL6350965 0.69 CA12 (0.71) CA12CA1CA2CA9CA14

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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