SCHEMBL8333347

SCHEMBL8333347

O=S(=O)(O)C1CC[N]CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
NFKB1 P19838 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRA6 Q16445 1/20 0.50
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4620125 0.78 TSHR (0.63) TSHRLMNACYP3A4GABRA1GABRG2
SCHEMBL5212 0.78
Hydrochloric Acid SCHEMBL443213 0.76
SCHEMBL17159759 0.76
SCHEMBL2102122 0.74
SCHEMBL5424 0.73
SCHEMBL5885 0.73
SCHEMBL74641 0.72
SCHEMBL329394 0.71 TSHR (0.55) TSHRLMNACYP3A4GABRA1GABRG2
SCHEMBL12212940 0.71 TSHR (0.55) TSHRLMNACYP3A4GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925642-A ANTITUMOR, ANTIMETASTASIS AGENTS; DRUG RESISTANCE MODULATORS; SYNERGISTIC MIXTURES WITH ANTIBIOTICS AND CYTOSTATIC AGENTS; SIDE EFFECT REDUCTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-07-20 US disclosed
EP-0863899-A1 PYRIDOPYRIMIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1998-09-16 EP disclosed
US-5668131-A CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-16 US disclosed
WO-1997019946-A1 PYRIDOPYRIMIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-06-05 WO disclosed
EP-0731801-A1 SUBSTITUTED AMINOALKYLAMINOPYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-09-18 EP disclosed
WO-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 WO disclosed
WO-1995015324-A1 SUBSTITUTED AMINOALKYLAMINOPYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-06-08 WO disclosed
EP-0486216-A1 Light-sensitive silver halide photographic material KONICA CORPORATION (JP) 1992-05-20 EP disclosed
US-4256896-A THIAZOLE, IMIDAZOLINE, AND OXAZOLINE DYES; DISPERSE DYES; ANIONIC DYES; TEXTILES CIBA-GEIGY AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed
US-4246422-A Naphtholactam dyestuffs CIBA-GEIGY AG (CH) 1981-01-20 US disclosed
US-4159379-A Dispersion dyestuffs of the naphtholactam series CIBA-GEIGY AG (CH) 1979-06-26 US disclosed