SCHEMBL11079232

SCHEMBL11079232

NC(=O)CCC(C(N)=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
DCLK1 O15075 1/20 0.38
MAPK13 O15264 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 1/20 0.38
PRKCG P05129 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
SCHEMBL13357525 0.85 CDC7 (0.49) TNFALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL17424876 0.81 LMNA (0.44) TNFALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8225216 0.81 LMNA (0.44) TNFALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL11082974 0.81 CYP2C9 (0.42) LMNA
SCHEMBL11077495 0.79 MEN1 (0.48) ROCK2
SCHEMBL11220676 0.79 EPHX1 (0.46) TNF
SCHEMBL4475063 0.79 TNF (0.45) TNFALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL11086055 0.78 ALOX15 (0.34) ALDH1A1ROCK2RPS6KA5MAP4K4RPS6KB1
SCHEMBL11080465 0.78 USP5 (0.42) HTTSMN1; SMN2MAPK1PTGS1
SCHEMBL11074868 0.77 CES2 (0.41) PDPK1ROCK2

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