SCHEMBL9450347

SCHEMBL9450347

NC(=O)COc1ccc(CC(=O)Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 3/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.44
PARP10 Q53GL7 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
SCHEMBL23582938 0.84 PLA2G4B (0.55) MEN1RAB9AKMT2AMAPTTP53
SCHEMBL10506137 0.82 MEN1 (0.58) MEN1RAB9AKMT2ATDP1POLB
SCHEMBL9517796 0.82 POLB (0.54) MEN1RAB9AKMT2ATDP1POLB
SCHEMBL14546296 0.81 MEN1 (0.47) MEN1RAB9AKMT2ATDP1POLB
SCHEMBL14111320 0.79 ALOX5 (0.42) RAB9ASMN1; SMN2PARP10
SCHEMBL3371954 0.79 MEN1 (0.51) MEN1RAB9AKMT2ATDP1POLB
SCHEMBL11216007 0.79 MEN1 (0.49) MEN1RAB9AKMT2ATDP1POLB
SCHEMBL16622219 0.79 FFAR1 (0.51) TDP1BLM
SCHEMBL23582929 0.79 MEN1 (0.54) MEN1RAB9AKMT2ATDP1L3MBTL1
SCHEMBL9449852 0.78 CA2 (0.64) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5232978-A 1-(2-arylethyl)-pyrrolidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0483580-A2 1-(2-Arylethyl)-pyrrolidine MERCK PATENT GmbH (DE) 1992-05-06 EP disclosed