SCHEMBL16598239

SCHEMBL16598239

COc1ccc(Cc2cccnc2C(N)=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.48
GPR52 Q9Y2T5 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
SIRT6 Q8N6T7 1/20 0.42
GRM2 Q14416 3/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 1/20 0.41
SYK P43405 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
CSF1R P07333 1/20 0.38
KCNH2 Q12809 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL29056033 0.83 GRM2 (0.47) GRM2NPC1LMNAPARP1
SCHEMBL30613366 0.82 NNMT (0.50) NNMTGPR52MKNK1MKNK2SIRT6
SCHEMBL7078983 0.80 SYK (0.54) NNMTGPR52MKNK1MKNK2SIRT6
SCHEMBL2226625 0.77 GRM2 (0.43) NNMTGPR52MKNK1MKNK2GRM2
SCHEMBL28001171 0.77 KDM4E (0.50) MKNK1MKNK2SIRT6ADORA2APARP1
SCHEMBL30006999 0.76 KDM4E (0.47)
SCHEMBL28492022 0.76 KDM4E (0.47)
SCHEMBL30006783 0.76 TDP1 (0.49) NPC1LMNAPKM
SCHEMBL30006752 0.75 L3MBTL1 (0.46) KMT2ANPC1LMNAPKM
SCHEMBL16598248 0.75 CYP1A2 (0.41) MKNK1MKNK2SIRT6ADORA2APARP1

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
WO-2015048503-A2 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A MNEMOSYNE PHARMACEUTICALS, INC. (US) 2015-04-02 WO disclosed