SCHEMBL7687591

SCHEMBL7687591

C=CCS(=O)(=O)c1c[nH]nn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PNMT P11086 1/20 0.32

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
SCHEMBL12854186 0.76 PSIP1 (0.32)
SCHEMBL11480923 0.72 LMNA (0.36) ALDH1A1LMNAHTTKMT2A
SCHEMBL4564361 0.70 ALDH1A1 (0.37) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL16568799 0.68 NPC1 (0.32) ALDH1A1LMNAMAPTHTT
SCHEMBL5014127 0.68 AKR1B1 (0.51) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL121558 0.67
SCHEMBL9391841 0.67
SCHEMBL1177716 0.67
SCHEMBL11500727 0.67 ALDH1A1 (0.37) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL27566436 0.66 ALDH1A1 (0.46) ALDH1A1MEN1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739349-A CHEMICAL INTERMEDIATE FOR HERBICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US claimed
EP-0661277-B1 Process for making triazolines and new untermediates used therein BAYER AG (DE) 1998-03-11 EP claimed
US-5475115-A Reacting sulfonyltriazole with alkali hydroxide followed by acidification BAYER AKTIENGESELLSCHAFT (DE) 1995-12-12 US claimed
JP-7188186-A None JP disclosed
US-6472535-B1 PREPARING A TRIAZOLINONE BY REACTING A TRIAZOLINETHIONE WITH AN OXIDANT IN THE PRESENCE OF A BASE; DOES NOT REQUIRE LONG REFLUX TIMES BAYER CORPORATION 2002-10-29 US disclosed
US-5739349-A CHEMICAL INTERMEDIATE FOR HERBICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5639891-A HERBICIDES; INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-06-17 US disclosed
US-5475115-A Reacting sulfonyltriazole with alkali hydroxide followed by acidification BAYER AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
JP-H07188186-A METHOD FOR PRODUCING TRIAZOLINONE AND NOVEL INTERMEDIATE BAYER AG 1995-07-25 JP disclosed
US-4233059-A HERBICIDES, INSECTICIDES, MITICIDES, FUNGICIDES, NEMATOCIDES SCHERING AKTIENGESELLSCHAFT (DE) 1980-11-11 US disclosed