SCHEMBL5039604

SCHEMBL5039604

COc1ccc(Nc2nc3c([N+](=O)[O-])cccc3o2)c(Oc2ccccc2C(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 6/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PIN1 Q13526 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 2/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
PAX8 Q06710 1/20 0.33
LMNA P02545 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
SCHEMBL5044561 0.82 POLB (0.44) P2RY1MEN1KMT2AALDH1A1MAPT
SCHEMBL6482641 0.81 RAB9A (0.36) P2RY1MEN1KMT2APIN1L3MBTL1
SCHEMBL1307723 0.77 S1PR4 (0.47) PIN1L3MBTL1ALDH1A1TDP1NPSR1
SCHEMBL5436637 0.70 CSNK1D (0.43) MEN1KMT2AL3MBTL1ALDH1A1TDP1
SCHEMBL5034796 0.69 P2RY1 (0.54) P2RY1
SCHEMBL5033043 0.68 P2RY1 (0.50) P2RY1
SCHEMBL5032920 0.67 P2RY1 (0.49) P2RY1
SCHEMBL5034853 0.67 P2RY1 (0.52) P2RY1
SCHEMBL5032999 0.67 P2RY1 (0.55) P2RY1
SCHEMBL5043305 0.67 P2RY1 (0.47) P2RY1ALDH1A1

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
US-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US claimed