SCHEMBL11348703

SCHEMBL11348703

CNS(=O)(=O)c1ccc2nnn(O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
HSD17B10 Q99714 1/20 0.57
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA13 Q8N1Q1 2/20 0.39

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
SCHEMBL19953708 0.85 HSD17B10 (0.57) ALDH1A1HSD17B10POLBMAPK1ATM
SCHEMBL13483457 0.84 ALDH1A1 (0.64) ALDH1A1HSD17B10POLBMAPK1ATM
SCHEMBL22954648 0.83 ALDH1A1 (0.65) ALDH1A1HSD17B10POLBMAPK1ATM
SCHEMBL1858405 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10POLBMAPK1ATM
SCHEMBL875653 0.81 ALDH1A1 (0.62) ALDH1A1HSD17B10POLBMAPK1ATM
SCHEMBL5702742 0.81 ALDH1A1 (0.62) ALDH1A1HSD17B10POLBMAPK1ATM
SCHEMBL11342584 0.80 ALDH1A1 (0.61) ALDH1A1HSD17B10POLBMAPK1ATM
SCHEMBL13239649 0.78 ALDH1A1 (0.58) ALDH1A1HSD17B10POLBATMLMNA
SCHEMBL11386318 0.75 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1LMNASMN1; SMN2
SCHEMBL27703932 0.72 ALDH1A1 (0.46) ALDH1A1HSD17B10POLBMAPK1ATM

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-0002774-B1 PROCESS FOR ACYLATING 7AMINOCEPHEM DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-23 EP disclosed
EP-0002774-A1 Process for acylating 7aminocephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-11 EP disclosed