SCHEMBL13344878

SCHEMBL13344878

Cc1nc(-c2ccc(OS(=O)(=O)C(F)(F)F)c(F)c2)co1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
SCN9A Q15858 1/20 0.45
NPC1 O15118 1/20 0.44
NR2F2 P24468 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 5/20 0.43
MAPT P10636 4/20 0.41
ENPP3 O14638 3/20 0.41
ENPP1 P22413 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
POLB P06746 2/20 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
SCHEMBL8281113 0.79 ENPP3 (0.56) KMT2ASCN9ANPC1NR2F2RAB9A
SCHEMBL8228630 0.74 ENPP3 (0.58) KMT2ASCN9ANPC1NR2F2RAB9A
SCHEMBL1218591 0.73 DRD2 (0.35) RAB9A
SCHEMBL6514066 0.72 ALPL (0.43) KMT2ASCN9ANPC1RAB9A
SCHEMBL8418313 0.72 ENPP3 (0.56) KMT2ASCN9ATP53MAPTENPP3
SCHEMBL13239262 0.72 PTGS2 (0.39) MAPT
SCHEMBL13239271 0.71 EPAS1 (0.39)
SCHEMBL13450985 0.70 ENPP3 (0.53) KMT2ASCN9ANPC1NR2F2RAB9A
SCHEMBL13344879 0.70 ENPP3 (0.53) KMT2ASCN9ATP53ENPP3ENPP1
SCHEMBL12021934 0.70 ENPP3 (0.53) KMT2ASCN9ANPC1NR2F2RAB9A

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