SCHEMBL9040639

SCHEMBL9040639

O=C1NC(=O)c2c(Cl)c(O)c(O)c(Cl)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
BRCA1 P38398 1/20 0.40
BLM P54132 1/20 0.40
PLA2G1B P04054 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 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
SCHEMBL22215992 0.83 HSD17B10 (0.52) ALDH1A1HSD17B10MEN1LMNACYP3A4
SCHEMBL369310 0.79 UCHL1 (0.43) ALDH1A1PPOXTSHRGSK3BCES1
SCHEMBL29414113 0.79 UCHL1 (0.43) ALDH1A1PPOXTSHRGSK3BCES1
SCHEMBL5334328 0.77 CDK4 (0.44) ALDH1A1HSD17B10MEN1MAPTHPGD
SCHEMBL29202777 0.77 UCHL1 (0.41) ALDH1A1PPOXTSHRCES1DNMT1
Ethane SCHEMBL29094893 0.74 UCHL1 (0.39) ALDH1A1PPOXTSHRCES1DNMT1
Ethylene SCHEMBL16860555 0.74 UCHL1 (0.39) ALDH1A1PPOXTSHRCES1DNMT1
SCHEMBL15680364 0.74 PPOX (0.42) ALDH1A1HSD17B10MEN1LMNACYP3A4
SCHEMBL28430382 0.73 GSK3B (0.36) ALDH1A1HSD17B10HPGDGSK3BGSK3A
SCHEMBL13578741 0.71 PPOX (0.37) ALDH1A1MEN1MAPTKMT2APPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412763-B1 Cephalosporins, processes for their preparation, pharmaceutical compositions containing them and intermediates therefor ZENECA LTD (GB) 1996-07-10 EP disclosed
US-5219848-A Bactericides ICI PHARMA (FR) 1993-06-15 US disclosed