SCHEMBL8691817

SCHEMBL8691817

CCC(=O)c1cccc(C(N)=O)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL10970621 0.92 HSP90AB1 (0.44) KDM4EALDH1A1MAPTHSD17B10TSHR
SCHEMBL22123487 0.85 ALDH1A1 (0.42) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL40536 0.83 ALDH1A1 (0.54) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL11651879 0.82 KDM4E (0.47) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL9632452 0.82 ALDH1A1 (0.46) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL7833654 0.82 ALDH1A1 (0.50) PARP1KDM4EALDH1A1MAPTHPGD
SCHEMBL9058909 0.81 GABRA1 (0.43) KDM4EALDH1A1LMNAHIF1ATDP1
SCHEMBL7547028 0.81 CD44 (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL15958950 0.81 G6PD (0.60) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL28756376 0.80 KDM4E (0.46) PARP1KDM4EALDH1A1MAPTHPGD

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-5830614-A Multilayer organic photoreceptor employing a dual layer of charge transporting polymers XEROX CORPORATION (US) 1998-11-03 US claimed