SCHEMBL8633070

SCHEMBL8633070

O=C1CSC(c2ccccc2)N1CCCBr

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL8635567 0.91 PTGS1 (0.55) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL8444032 0.88 PTGS1 (0.65) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL8635508 0.84 MEN1 (0.54) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL27389982 0.81 CYP2C9 (0.53) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL27391713 0.79 CYP2C9 (0.48) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL2101055 0.78 PTGS1 (0.55) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL27480003 0.78 POLB (0.48) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL5417232 0.77 LMNA (0.68) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL8633557 0.77 PTGS1 (0.56) PTGS1PTGS2MEN1KMT2A
SCHEMBL7204874 0.76 CYP2C9 (0.56) PTGS1PTGS2MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed
CN-1091741-A Tartronic acid and acetal ether thereof and O-ester DOMPE FARMACEUTICI SPA (IT) 1994-09-07 CN disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed