SCHEMBL8936641

SCHEMBL8936641

O=c1[nH]cc(-c2ccc(Cl)s2)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.38
DPYD Q12882 4/20 0.37
GAA P10253 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 1/20 0.37
TSHR P16473 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
HTT P42858 1/20 0.37
HBB P68871 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL30709633 0.79 ALDH1A1 (0.47) ALDH1A1LMNADPYDGAAATAD2
SCHEMBL2495533 0.70 ALDH1A1 (0.53) ALDH1A1LMNADPYDGAAATAD2
SCHEMBL31400382 0.69 ALDH1A1 (0.38) ALDH1A1LMNA
SCHEMBL29809206 0.69 ALDH1A1 (0.67) ALDH1A1LMNADPYDGAAATAD2
SCHEMBL30727735 0.68 CDC7 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL30727752 0.68 ALDH1A1 (0.36) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL30727679 0.66 SELE (0.40) ALDH1A1LMNAMAPT
SCHEMBL9193008 0.65 CYP2A6 (0.50) ALDH1A1LMNAGAAMAPTTSHR
SCHEMBL3485414 0.64 ALDH1A1 (1.00) ALDH1A1LMNADPYDGAAATAD2
SCHEMBL67366 0.64

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-5576429-A HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRICIDE; ANTITUMOR AGENT MEDIVIR AB (SE) 1996-11-19 US disclosed
EP-0357571-B1 Pyrimidine nucleosides MEDIVIR AB (SE) 1996-04-03 EP disclosed
EP-0691333-A2 Pyrimidine derivatives, process for their preparation and their use as precursors Medivir Aktiebolag (SE) 1996-01-10 EP disclosed
US-5440040-A Drug for Aids therapy; viricides MEDIVIR AB (SE) 1995-08-08 US disclosed
EP-0357571-A2 Pyrimidine nucleosides Medivir Aktiebolag (SE) 1990-03-07 EP disclosed
WO-1989012061-A1 PYRIMIDINE NUCLEOSIDES AND INTERMEDIATES MEDIVIR AB (SE) 1989-12-14 WO disclosed