SCHEMBL4458431

SCHEMBL4458431

[NH]SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.44
KCNN4 O15554 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.36

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
SCHEMBL34009 0.75 KIF11 (0.48) KIF11KCNN4TSHRALDH1A1MAPK1
SCHEMBL7715769 0.75 KIF11 (0.48) KIF11KCNN4TSHRALDH1A1MAPK1
SCHEMBL5495862 0.71 TSHR (0.48) KIF11KCNN4TSHRALDH1A1MAPK1
SCHEMBL4976416 0.71 KIF11 (0.44) KIF11KCNN4TSHRALDH1A1MAPK1
SCHEMBL84106 0.71 KIF11 (0.44) KIF11KCNN4TSHRALDH1A1MAPK1
SCHEMBL23561105 0.71 KCNN4 (0.48) KIF11KCNN4TSHRALDH1A1MAPK1
SCHEMBL114237 0.71 KIF11 (0.50) KIF11KCNN4TSHRALDH1A1MAPK1
SCHEMBL5507220 0.71 KIF11 (0.44) KIF11KCNN4TSHRALDH1A1MAPK1
SCHEMBL31090689 0.71 KIF11 (0.44) KIF11KCNN4TSHRALDH1A1MAPK1
SCHEMBL31090690 0.71 KIF11 (0.44) KIF11KCNN4TSHRALDH1A1MAPK1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO claimed
US-4579684-A Process for the manufacture of enol derivatives CIBA-GEIGY CORPORATION (US) 1986-04-01 US claimed
US-4293462-A Process for the manufacture of enol derivatives, and intermediates CIBA-GEIGY CORPORATION (US) 1981-10-06 US claimed
US-4073902-A ANTIMICROBIAL COMPOUNDS CIBA-GEIGY CORPORATION (US) 1978-02-14 US claimed
US-3989695-A 7β-Amino-cepham-3-ol-4-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1976-11-02 US claimed
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
US-4906659-A Antibiotic tan-749, its derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-06 US disclosed
US-4897489-A 2-/5-OXO-2-TETRAHYDROFURANY4-3-OXOISOXOL-IDINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-30 US disclosed
US-4876251-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-24 US disclosed
US-4851422-A Antibiotic 2-(3-oxo-2-isoxazolidinyl)-5-oxo-2-tetrahydrofuran-carboxylates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0249909-A1 Tricyclic penam compounds, their production and their use Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
US-4668781-A Ceph-3-one compounds and process for their manufacture CIBA-GEIGY CORPORATION (US) 1987-05-26 US disclosed
US-4301278-A BY HYDROGENATION IN THE PRESENCE OF A CATALYST CIBA-GEIGY CORPORATION (US) 1981-11-17 US disclosed
US-4293462-A Process for the manufacture of enol derivatives, and intermediates CIBA-GEIGY CORPORATION (US) 1981-10-06 US disclosed
US-4256739-A 7β-Amino-3-thio-3-cephem-4-carboxylic acid compounds, and antibacterial compositions and methods using them CIBA-GEIGY CORPORATION (US) 1981-03-17 US disclosed
US-4255328-A CEPHALOSPORINS CIBA-GEIGY CORPORATION (US) 1981-03-10 US disclosed
US-4147864-A Process for the manufacture of 7β-amino-3-cephem-3-ol-4 carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1979-04-03 US disclosed
US-4110533-A PROCESS FOR THE MANUFACTURE OF ENOL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-08-29 US disclosed
US-4073902-A ANTIMICROBIAL COMPOUNDS CIBA-GEIGY CORPORATION (US) 1978-02-14 US disclosed
US-4014874-A Process for the manufacture of 3-substituted thiomethyl-7-amino-2-cephem-4-carboxylic acid compound CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed