SCHEMBL13344879

SCHEMBL13344879

Cc1nc(-c2ccc(O)c(F)c2)co1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 4/20 0.53
ENPP1 P22413 2/20 0.53
KMT2A Q03164 1/20 0.45
ESR1 P03372 10/20 0.44
ESR2 Q92731 10/20 0.44
MIF P14174 1/20 0.43
SCN9A Q15858 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL8228630 0.85 ENPP3 (0.58) ENPP3ENPP1KMT2ASCN9ATP53
SCHEMBL8418313 0.83 ENPP3 (0.56) ENPP3ENPP1KMT2ASCN9ATP53
SCHEMBL13450985 0.81 ENPP3 (0.53) ENPP3ENPP1KMT2ASCN9ATP53
SCHEMBL12021934 0.81 ENPP3 (0.53) ENPP3ENPP1KMT2ASCN9ATP53
SCHEMBL8257975 0.80 ENPP3 (0.56) ENPP3ENPP1KMT2ASCN9ATP53
SCHEMBL8221289 0.78 ENPP3 (0.50) ENPP3ENPP1KMT2ASCN9ATP53
SCHEMBL8281113 0.78 ENPP3 (0.56) ENPP3ENPP1KMT2ASCN9ATP53
SCHEMBL12021820 0.77 ENPP3 (0.53) ENPP3ENPP1KMT2ASCN9ATP53
SCHEMBL14259170 0.77 ENPP3 (0.53) ENPP3ENPP1KMT2AESR2SCN9A
SCHEMBL8221400 0.77 ENPP3 (0.53) ENPP3ENPP1KMT2ASCN9ATP53

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-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed