SCHEMBL7746014

SCHEMBL7746014

Cn1c2ccccc2c(=O)cc[n+]1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
GPR3 P46089 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 4/20 0.37
NQO2 P16083 1/20 0.37
ALDH1A1 P00352 7/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MITF O75030 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 3/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL29576413 0.68 ALDH1A1 (0.59) HPGDERCC1FEN1ERCC4GPR3
SCHEMBL1809581 0.68 ALDH1A1 (0.59) HPGDERCC1FEN1ERCC4GPR3
Iodide SCHEMBL27839552 0.67 ALDH1A1 (0.57) HPGDERCC1FEN1ERCC4GPR3
Hydrochloric Acid SCHEMBL29744398 0.67 ALDH1A1 (0.57) HPGDERCC1FEN1ERCC4GPR3
SCHEMBL1809580 0.65 HPGD (0.43) HPGDERCC1FEN1ERCC4GPR3
SCHEMBL30345209 0.64 SMN1; SMN2 (0.44) HPGDERCC1FEN1ERCC4GPR3
SCHEMBL28158766 0.64 HPGD (0.59) HPGDERCC1FEN1ERCC4GPR3
SCHEMBL29618419 0.63 HPGD (0.53) HPGDERCC1FEN1ERCC4GPR3
SCHEMBL1924917 0.63 NOTUM (0.62) HPGDSMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL8653902 0.62 PDE5A (0.47) POLBKDM4EALDH1A1HSD17B10GAA

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
WO-2001030769-A2 PROCESS FOR ALKYLATION OF BENZODIAZEPINDIONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2001-05-03 WO disclosed