SCHEMBL11077027

SCHEMBL11077027

COc1ccccc1C(CC(N)=O)CC(N)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.66
▸ HTT P42858 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ LMNA P02545 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CTSD P07339 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TNF P01375 1/20 0.45
▸ PDE4A P27815 1/20 0.45

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
SCHEMBL11086924 0.86 L3MBTL1 (0.50) POLBHTTNPSR1L3MBTL1LMNA
SCHEMBL17755257 0.84 POLB (0.51) POLBHTTNPSR1L3MBTL1LMNA
SCHEMBL18150761 0.84 POLB (0.73) POLBHTTNPSR1L3MBTL1LMNA
SCHEMBL30781902 0.84 POLB (0.73) POLBHTTNPSR1L3MBTL1LMNA
SCHEMBL4556503 0.83 POLB (0.50) POLBHTTNPSR1L3MBTL1LMNA
SCHEMBL11072867 0.82 TNF (0.47) POLBHTTNPSR1L3MBTL1LMNA
SCHEMBL18151122 0.82 HTT (0.66) POLBHTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL14678302 0.81 L3MBTL1 (0.53) POLBHTTNPSR1L3MBTL1LMNA
SCHEMBL11074462 0.80 L3MBTL1 (0.49) POLBHTTNPSR1L3MBTL1LMNA
SCHEMBL11374397 0.79 NPSR1 (0.54) POLBHTTNPSR1L3MBTL1LMNA

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-0024776-B1 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1984-12-27 — — EP disclosed
US-4322421-A 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1982-03-30 — — US disclosed
US-4261995-A DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE SYNTEX (U.S.A.) INC. (US) 1981-04-14 — — US disclosed
EP-0024776-A1 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives SYNTEX (U.S.A.) INC. (US) 1981-03-11 — — EP disclosed
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