SCHEMBL1424658

SCHEMBL1424658

CC(C)(C)c1ccccc1Oc1ncccc1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
TDP1 Q9NUW8 2/20 0.57
GLO1 Q04760 1/20 0.57
P2RY1 P47900 13/20 0.56
POLB P06746 2/20 0.53
AGTR1 P30556 1/20 0.53
CCR2 P41597 1/20 0.52
P2RY14 Q15391 2/20 0.51
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC22A12 Q96S37 1/20 0.47

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
SCHEMBL1424512 0.87 P2RY1 (0.63) P2RY1CCR2P2RY14SLC22A12
SCHEMBL1425241 0.86 P2RY1 (0.65) KMT2AGLO1P2RY1POLBCCR2
SCHEMBL1424890 0.84 P2RY1 (0.58) P2RY1CCR2P2RY14
SCHEMBL1424702 0.84 P2RY1 (0.53) P2RY1CCR2P2RY14SLC22A12
SCHEMBL1425270 0.84 P2RY1 (0.54) KMT2AP2RY1POLBCCR2P2RY14
SCHEMBL3446082 0.84 P2RY1 (0.66) KMT2AGLO1P2RY1POLBP2RY14
SCHEMBL3446360 0.83 P2RY1 (0.68) KMT2AP2RY1POLBP2RY14ALDH1A1
SCHEMBL3446428 0.83 SLC40A1 (0.51) GLO1P2RY1POLBCCR2P2RY14
SCHEMBL3446186 0.82 P2RY1 (0.61) P2RY1CCR2P2RY14SLC22A12
SCHEMBL1424674 0.82 SLC22A12 (0.54) P2RY1POLBP2RY14ALDH1A1SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US claimed
EP-1896417-B1 LINEAR UREA MIMICS ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2011-03-23 EP disclosed