SCHEMBL11283115

SCHEMBL11283115

COC(=O)CNc1cccc(C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.52
PARP10 Q53GL7 8/20 0.52
PARP14 Q460N5 4/20 0.52
PARP15 Q460N3 4/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GRK2 P25098 1/20 0.50
GRK5 P34947 1/20 0.50
GRK3 P35626 1/20 0.50
AKR1C3 P42330 1/20 0.49
VEGFA P15692 1/20 0.47
FLT1 P17948 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTR7 P34969 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL24445558 0.86 MEN1 (0.53) MEN1KMT2AAKR1C3ALDH1A1
SCHEMBL134016 0.86 EGFR (0.57) MEN1KMT2AAKR1C3ALDH1A1
SCHEMBL29613642 0.86 MEN1 (0.53) MEN1KMT2AAKR1C3ALDH1A1
SCHEMBL4485291 0.85 PARP14 (0.47) PARP1PARP10PARP14PARP15MEN1
SCHEMBL21552480 0.85 MEN1 (0.52) PARP1PARP10PARP14PARP15MEN1
SCHEMBL11277128 0.82 AKR1C3 (0.57) PARP1PARP10PARP14PARP15MEN1
SCHEMBL18484918 0.81 ALDH1A1 (0.53) MEN1KMT2AAKR1C3ALDH1A1CA12
SCHEMBL8294937 0.80 MEN1 (0.57) PARP1PARP10PARP14PARP15MEN1
SCHEMBL9448456 0.80 PARP1 (0.51) PARP1PARP10PARP14PARP15MEN1
SCHEMBL6904254 0.79 ALDH1A1 (0.51) MEN1KMT2AALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009608-B1 N-PHENETHYLACETAMIDE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC COMPOSITIONS CONTAINING THEM DAIICHI SEIYAKU CO., LTD. (JP) 1982-04-21 EP disclosed
US-4297357-A ANTIULCER AGENTS; ANTISECRETORY AGENTS DAIICHI SEIYAKU CO., LTD. (JP) 1981-10-27 US disclosed
EP-0009608-A1 N-Phenethylacetamide compounds, processes for their preparation and therapeutic compositions containing them DAIICHI SEIYAKU CO., LTD. (JP) 1980-04-16 EP disclosed