SCHEMBL9716701

SCHEMBL9716701

Nc1ccc(C(=O)N(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.55
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.46
MLYCD O95822 1/20 0.43
F2 P00734 3/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41

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
SCHEMBL698882 0.88 ADRA2C (0.64) ADRA2CMEN1KMT2AHPGDNPC1
SCHEMBL9716677 0.85 ADRA2C (0.53) ADRA2CMEN1KMT2AHPGDNPC1
SCHEMBL10660695 0.83 BACE1 (0.52) ADRA2CMEN1KMT2AHPGDNPC1
SCHEMBL7375547 0.83 HPGD (0.64) ADRA2CMEN1KMT2AHPGDALDH1A1
SCHEMBL6569544 0.83 PKM (0.56) ADRA2CMEN1KMT2AHPGDNPC1
SCHEMBL6174036 0.83 ADRA2C (0.51) ADRA2CMEN1KMT2AHPGDNPC1
SCHEMBL10659082 0.80 ADRA2C (0.48) ADRA2CMEN1KMT2AHPGDNPC1
SCHEMBL6570858 0.80 KDM4E (0.63) ADRA2CMEN1KMT2AHPGDNPC1
SCHEMBL20681717 0.80 RORC (0.60) ADRA2CMEN1KMT2AHPGDNPC1
SCHEMBL8725847 0.80 ADRA2C (0.55) ADRA2CMEN1KMT2AHPGDNPC1

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