SCHEMBL4778320

SCHEMBL4778320

Cc1nc(CC(N)=O)sc1S(=O)(=O)N(C)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 4/20 0.44
RXFP1 Q9HBX9 4/20 0.44
LMNA P02545 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
THRB P10828 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41
CFTR P13569 1/20 0.41
CHEK2 O96017 1/20 0.40

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
SCHEMBL1135577 0.81 LMNA (0.46) KMT2AMEN1MAPTRXFP1LMNA
SCHEMBL1135816 0.78 MAPT (0.51) KMT2AMEN1MAPTRXFP1LMNA
SCHEMBL2890226 0.72 F2 (0.39) MEN1LMNACA12CA1CA2
SCHEMBL7478269 0.70 MMP3 (0.57) KMT2AMEN1LMNAHDAC4HDAC6
SCHEMBL4876765 0.67 KMT2A (0.52) KMT2AMEN1LMNAHDAC4HDAC6
SCHEMBL28057794 0.66 MEN1 (0.47) KMT2AMEN1MAPTRXFP1LMNA
SCHEMBL12261100 0.66 KMT2A (0.52) KMT2AMEN1MAPTRXFP1LMNA
SCHEMBL407669 0.65 ALDH1A1 (0.73) KMT2AMEN1MAPTRXFP1LMNA
SCHEMBL14736416 0.65 ALDH1A1 (0.53) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL5450808 0.65 ALDH1A1 (0.62) KMT2AMEN1MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006078621-A9 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-06-19 WO disclosed