SCHEMBL11079401

SCHEMBL11079401

NC(=O)CC(CC(N)=O)c1ccc(Br)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
DGAT1 O75907 1/20 0.37
ALOX15 P16050 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SIRT1 Q96EB6 1/20 0.35
HSP90AA1 P07900 1/20 0.35
TLR9 Q9NR96 1/20 0.35
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL11072796 0.78 HTT (0.42) SMN1; SMN2
SCHEMBL11076938 0.75 ALOX15 (0.38) ALOX15KMT2AMEN1HSP90AA1TLR9
SCHEMBL30613085 0.74 DGAT1 (0.39) DGAT1ALOX15KMT2AMEN1HSP90AA1
SCHEMBL11079894 0.73 KDM4E (0.34) SMN1; SMN2DGAT1ALOX15KMT2AMEN1
SCHEMBL11084494 0.73 ALOX5 (0.46) SMN1; SMN2KMT2AMEN1
SCHEMBL11079107 0.71 PARP1 (0.47) SMN1; SMN2PARP1
SCHEMBL11516331 0.70 GRM1 (0.46) ALOX15KMT2AMEN1HSP90AA1TLR9
SCHEMBL11078097 0.69 ALDH1A1 (0.37) SMN1; SMN2ALOX15KMT2AMEN1PARP1
SCHEMBL7152601 0.69 ALOX15 (0.41) ALOX15KMT2AMEN1KDM4ELMNA
SCHEMBL11071260 0.68 ITGB2 (0.38) SMN1; SMN2PARP1

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