SCHEMBL10783237

SCHEMBL10783237

COC(=O)NCC(=O)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGD P15428 1/20 0.49
RAB9A P51151 2/20 0.48
PARP1 P09874 1/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.46
NPC1 O15118 1/20 0.46
GRM5 P41594 1/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL23017662 0.85 ERCC5 (0.49) ERCC5FEN1MEN1KMT2AALDH1A1
SCHEMBL7438839 0.84 ERCC5 (0.57) ERCC5FEN1MEN1KMT2AALDH1A1
SCHEMBL11761251 0.82 ERCC5 (0.58) ERCC5FEN1MEN1KMT2AALDH1A1
SCHEMBL10780319 0.81 L3MBTL1 (0.53) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL10481543 0.80 ERCC5 (0.60) ERCC5FEN1MEN1KMT2AALDH1A1
SCHEMBL9588184 0.80 MAPT (0.51) ERCC5FEN1MEN1KMT2AALDH1A1
SCHEMBL7429982 0.80 ALDH1A1 (0.54) ERCC5FEN1MEN1KMT2AALDH1A1
SCHEMBL8858796 0.79 ERCC5 (0.59) ERCC5FEN1MEN1KMT2AALDH1A1
SCHEMBL7690326 0.79 ERCC5 (0.64) ERCC5FEN1MEN1KMT2AALDH1A1
SCHEMBL20245335 0.79 ERCC5 (0.51) ERCC5FEN1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4694005-A CARDIOTONIC, HYPOTENSIVE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-15 US disclosed