SCHEMBL3145089

SCHEMBL3145089

CCOC(=O)Oc1ccc2nc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 17/20 0.59
P2RY14 Q15391 2/20 0.53
MEN1 O00255 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SENP8 Q96LD8 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
SCHEMBL3154555 0.88 RAB9A (0.67) P2RY1P2RY14MEN1NPC1RAB9A
SCHEMBL3144166 0.88 P2RY1 (0.65) P2RY1P2RY14NPC1RAB9AMAPT
SCHEMBL3160294 0.86 P2RY1 (0.66) P2RY1P2RY14MEN1NPC1RAB9A
SCHEMBL3163201 0.83 P2RY1 (0.66) P2RY1P2RY14
SCHEMBL3155017 0.82 P2RY1 (0.58) P2RY1P2RY14MEN1NPC1RAB9A
SCHEMBL1307054 0.79 P2RY1 (0.59) P2RY1
SCHEMBL3159410 0.79 P2RY1 (0.58) P2RY1P2RY14
SCHEMBL3155588 0.79 P2RY1 (0.71) P2RY1P2RY14MEN1NPC1RAB9A
SCHEMBL1308822 0.79 P2RY1 (0.66) P2RY1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3157678 0.77 P2RY1 (0.67) P2RY1P2RY14

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
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP claimed