SCHEMBL8545253

SCHEMBL8545253

C=CCOC(=O)c1cc(N)c2cccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NR4A2 P43354 1/20 0.43
SNCA P37840 1/20 0.43
CYP3A4 P08684 1/20 0.42
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 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
SCHEMBL8544750 0.81 POLB (0.45) ALDH1A1TSHRHSD17B10SNCACYP3A4
SCHEMBL8539537 0.80 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10SNCACYP3A4
SCHEMBL14746991 0.79 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10SNCACYP3A4
SCHEMBL27318875 0.78 SNCA (0.46) ALDH1A1TSHRHSD17B10SNCACYP3A4
SCHEMBL7781811 0.75 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10SNCACYP3A4
SCHEMBL8539340 0.74 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10CYP3A4MEN1
SCHEMBL4541319 0.73 SMYD3 (0.48) ALDH1A1TSHRHSD17B10SNCACYP3A4
SCHEMBL9683184 0.72 ALDH1A1 (0.51) ALDH1A1TSHRHSD17B10SNCACYP3A4
SCHEMBL2363794 0.72 ALDH1A1 (0.63) ALDH1A1TSHRHSD17B10SNCACYP3A4
SCHEMBL11162218 0.71 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10SNCACYP3A4

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-0581500-B1 Antibiotic carbapenem compounds ZENECA LTD (GB) 1998-09-09 EP disclosed
US-5441949-A Carbapenem antibiotic compounds ZENECA LIMITED (GB) 1995-08-15 US disclosed
EP-0581500-A1 Antibiotic carbapenem compounds ZENECA LIMITED (GB) 1994-02-02 EP disclosed