SCHEMBL8545328

SCHEMBL8545328

C=CCOC(=O)c1ccnc2c(N)cccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HSD17B10 Q99714 2/20 0.58
TSHR P16473 1/20 0.58
CYP3A4 P08684 2/20 0.50
PSMD14 O00487 2/20 0.43
KDM4E B2RXH2 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KDM4A O75164 2/20 0.40
RAB9A P51151 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
HIF1AN Q9NWT6 1/20 0.40
SNCA P37840 1/20 0.39
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

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
SCHEMBL8544930 0.81 ALDH1A1 (0.49) ALDH1A1HSD17B10TSHRCYP3A4PSMD14
SCHEMBL8545120 0.80 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL11973493 0.78 PSMD14 (0.68) ALDH1A1HSD17B10PSMD14KDM4EL3MBTL1
SCHEMBL960227 0.77 CYP3A4 (0.76) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL30553415 0.76 KDM4E (0.51) ALDH1A1TSHRPSMD14KDM4EL3MBTL1
SCHEMBL27214228 0.76 KDM4E (0.51) ALDH1A1TSHRPSMD14KDM4EL3MBTL1
SCHEMBL6537541 0.75 CYP3A4 (0.40) ALDH1A1HSD17B10TSHRCYP3A4MEN1
SCHEMBL5673559 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL5339693 0.75 ALDH1A1 (0.77) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL23754362 0.74 KDM4E (0.68) ALDH1A1PSMD14KDM4EL3MBTL1KDM4A

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