SCHEMBL7455310

SCHEMBL7455310

CCOC(=O)c1c(-c2ccc(C#N)cc2)n[nH]c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.44
▸ FNTB P49356 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ SLC34A1 Q06495 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ ADORA3 P0DMS8 2/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ SLC5A1 P13866 1/20 0.39
▸ SLC5A2 P31639 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL7460449 0.85 PDE4D (0.52) FNTAFNTBKDM4ESLC34A1L3MBTL1
SCHEMBL7456165 0.83 KDM4E (0.44) FNTAFNTBKDM4ESLC34A1L3MBTL1
SCHEMBL5937229 0.78 ALDH1A1 (0.53) FNTAFNTBKDM4ESLC34A1L3MBTL1
SCHEMBL5937404 0.78 KDM4E (0.43) FNTAFNTBKDM4ESLC34A1L3MBTL1
SCHEMBL10924549 0.75 KDM4E (0.47) KDM4EL3MBTL1HPGDSSMN1; SMN2HTT
SCHEMBL10924593 0.74 HPGDS (0.56) KDM4EL3MBTL1ADORA3HPGDSSMN1; SMN2
SCHEMBL4352449 0.73 KDM4E (0.51) KDM4EL3MBTL1TRPA1SMN1; SMN2ALDH1A1
SCHEMBL14812013 0.72 PDE4D (0.67) KDM4ESMN1; SMN2HTTMAPK10PDE4D
SCHEMBL7469942 0.71 SMN1; SMN2 (0.48) FNTAFNTBKDM4ESLC34A1L3MBTL1
SCHEMBL5937220 0.71 ALPL (0.70) L3MBTL1HPGDSSMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228043-A1 ISOQUINOLINE AND QUINAZOLINE DEIVATIVES HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2002-08-07 — — EP disclosed
WO-2001032626-A1 ISOQUINOLINE AND QUINAZOLINE DERIVATIVES HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 — — WO disclosed
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