SCHEMBL16631471

SCHEMBL16631471

CCc1cc2ccc(C)[nH]c-2nc1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA1 P30542 2/20 0.34
HPGD P15428 2/20 0.33
GUSB P08236 1/20 0.33
TMIGD3 P0DMS9 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
TRPA1 O75762 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
SCHEMBL16631709 0.82 NR1I3 (0.41) MAPK1SMN1; SMN2GAAMAPTTP53
SCHEMBL18081932 0.81 MAPK1 (0.40) MAPK1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL18080464 0.75 TRPV1 (0.36) MAPK1SMN1; SMN2GAAMAPTTP53
SCHEMBL16631462 0.73 SMN1; SMN2 (0.36) SMN1; SMN2GAAMAPTTP53L3MBTL1
SCHEMBL16631936 0.72 HIF1A (0.33) SMN1; SMN2MAPTL3MBTL1KDM4EHSD17B10
SCHEMBL16631411 0.72 TNKS (0.36) ADORA1HPGDTMIGD3
SCHEMBL16631745 0.71 HCAR2 (0.34) HPGD
SCHEMBL16631495 0.70 DAO (0.34) SMN1; SMN2GAAMAPTTP53KDM4E
SCHEMBL18081951 0.67 NR1I3 (0.45) SMN1; SMN2GAAMAPTKDM4EHPGD
SCHEMBL16631746 0.65 MAP4K1 (0.32) PKM

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed