SCHEMBL9717441

SCHEMBL9717441

CC(O)CN(CC(C)O)C(=O)c1cccc(C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.46
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACR P10323 1/20 0.43
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
CRY1 Q16526 1/20 0.39
CRY2 Q49AN0 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KLK1 P06870 1/20 0.38
MLYCD O95822 1/20 0.38
MEP1B Q16820 1/20 0.38

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
SCHEMBL21185839 0.92 HPGD (0.50) HPGDTDP1ACRKMT2AMEN1
SCHEMBL9717459 0.83 MLYCD (0.49) PARP1HPGDTDP1ACRKMT2A
SCHEMBL1249570 0.83 PARP1 (0.42) PARP1HPGDTDP1KMT2AMEN1
SCHEMBL30560902 0.83 PARP1 (0.42) PARP1HPGDTDP1KMT2AMEN1
SCHEMBL2854780 0.80 HPGD (0.67) PARP1HPGDTDP1TSHR
SCHEMBL5935460 0.80 HPGD (0.53) HPGDACRKMT2AMEN1L3MBTL1
SCHEMBL2206850 0.78 TP53 (0.51) PARP1HPGDTDP1KMT2AMLYCD
SCHEMBL10326041 0.77 PARP1 (0.37) PARP1HPGDTDP1KMT2AMEN1
Hydrochloric Acid SCHEMBL3355966 0.76 TP53 (0.50) PARP1HPGDTDP1KMT2AMLYCD
Hydrochloric Acid SCHEMBL3352609 0.76 TP53 (0.50) PARP1HPGDTDP1KMT2AMLYCD

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-5086104-A Mixture of thermoplastic resin, elastomer and amide compound, excellent toughtness, heat resistance and durability POLYPLASTICS CO., LTD. (JP) 1992-02-04 US disclosed