SCHEMBL9530726

SCHEMBL9530726

CCCCCCS(=O)(=O)c1nn2c(=O)c([N+](=O)[O-])c(OC)nc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 4/20 0.42
GSR P00390 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
SOAT1 P35610 10/20 0.33

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
SCHEMBL9533403 0.84 TXNRD1 (0.41) TXNRD1GSRMEN1KMT2AGAA
SCHEMBL9776524 0.78 TXNRD1 (0.44) TXNRD1GSRMEN1KMT2AGAA
SCHEMBL9532673 0.76 SOAT1 (0.44) TXNRD1MEN1KMT2AGAAMAPT
SCHEMBL9533205 0.76 SOAT1 (0.44) TXNRD1MEN1KMT2AGAAMAPT
SCHEMBL9534621 0.73 CA12 (0.35) MEN1KMT2AGAAMAPTHPGD
SCHEMBL9530833 0.73 CA12 (0.34) TXNRD1GSRMEN1KMT2AGAA
SCHEMBL9533529 0.71 CA12 (0.35) TXNRD1GSRMEN1KMT2AGAA
SCHEMBL9534429 0.70 CA12 (0.33) TXNRD1GSRCA12CA1CA2
SCHEMBL9535226 0.70 DCTPP1 (0.38) TXNRD1GSRSOAT1
SCHEMBL10374150 0.70 KDM4E (0.46) MEN1KMT2AMAPTHPGDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238059-B1 5H-1,3,4-Thiazole[3,2-a]pyrimidin-5-one derivatives and fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-16 EP disclosed
EP-0526543-A4 DERIVATIVES AND ANALOGUES OF 2-DEOXY-2,3-DIDEHYDRO-N-ACETYL NEURAMINIC ACID AND THEIR USE AS ANTIVIRAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 1993-04-21 EP disclosed
EP-0526543-A1 DERIVATIVES AND ANALOGUES OF 2-DEOXY-2,3-DIDEHYDRO-N-ACETYL NEURAMINIC ACID AND THEIR USE AS ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 1993-02-10 EP disclosed
US-4971971-A FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-11-20 US disclosed
US-4866064-A AGRICULTURE HORTICULTURE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-09-12 US disclosed
EP-0282635-A2 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one derivatives and fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-09-21 EP disclosed
EP-0238059-A2 5H-1,3,4-Thiazole[3,2-a]pyrimidin-5-one derivatives and fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-09-23 EP disclosed