SCHEMBL9716639

SCHEMBL9716639

O=C(O)CN(C(=O)c1cccc2ccccc12)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
PTPN1 P18031 1/20 0.46
CDC25B P30305 1/20 0.46
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 4/20 0.44
MMP3 P08254 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
PLK1 P53350 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL7996708 0.86 NR4A1 (0.41) NR4A1NR4A2NR4A3PTPN1CDC25B
SCHEMBL3792155 0.79 NR4A1 (0.53) NR4A1NR4A2NR4A3PTPN1CDC25B
SCHEMBL31060098 0.79 NR4A1 (0.53) NR4A1NR4A2NR4A3PTPN1CDC25B
SCHEMBL9548533 0.78 NR4A1 (0.60) NR4A1NR4A2NR4A3PTPN1CDC25B
SCHEMBL6570853 0.78 KMT2A (0.51) TP53MEN1KMT2AALDH1A1HPGD
SCHEMBL11833560 0.77 NR4A1 (0.58) NR4A1NR4A2NR4A3PTPN1CDC25B
Hydrochloric Acid SCHEMBL6927453 0.76 NR4A1 (0.49) NR4A1NR4A2NR4A3PTPN1CDC25B
Hydrochloric Acid SCHEMBL11865419 0.76 NR4A1 (0.56) NR4A1NR4A2NR4A3PTPN1CDC25B
SCHEMBL9303595 0.76 POLB (0.60) NR4A1NR4A2NR4A3PTPN1CDC25B
SCHEMBL698882 0.74 ADRA2C (0.64) TDP1MEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed