SCHEMBL11085231

SCHEMBL11085231

NC(=O)CC(CC(N)=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL11074799 0.87
SCHEMBL6581667 0.83 GABBR2 (0.51) ALDH1A1TP53MEN1KMT2A
SCHEMBL11078276 0.79 DCAF1 (0.43) ALDH1A1MEN1KMT2AMAPT
SCHEMBL14580268 0.75 MEN1 (0.45) ALDH1A1TP53MEN1KMT2A
SCHEMBL16971108 0.75 TSHR (0.44) ALDH1A1MEN1POLBKMT2AKDM4E
SCHEMBL11082454 0.75 ALDH1A1 (0.39) ALDH1A1TP53MEN1POLBKMT2A
SCHEMBL523877 0.75 GABBR2 (0.59) MEN1KMT2AMAPT
SCHEMBL10969727 0.74 ALDH1A1 (0.41) ALDH1A1TP53MEN1POLBKMT2A
SCHEMBL11079515 0.74 TNF (0.55) ALDH1A1
SCHEMBL11079919 0.74 TSHR (0.44) ALDH1A1TP53MEN1KMT2AMAPT

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