SCHEMBL16631709

SCHEMBL16631709

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 3/20 0.41
MAPT P10636 5/20 0.36
RXFP1 Q9HBX9 3/20 0.36
NR1I2 O75469 1/20 0.36
CYP1A2 P05177 1/20 0.36
VDR P11473 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
AHR P35869 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.33
ATM Q13315 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
SCHEMBL16631471 0.82 MAPK1 (0.37) MAPTALDH1A1KDM4EGAAHSD17B10
SCHEMBL18081951 0.80 NR1I3 (0.45) NR1I3MAPTRXFP1NR1I2CYP1A2
SCHEMBL16631414 0.74 NR1I3 (0.35) NR1I3MAPTRXFP1NR1I2CYP1A2
SCHEMBL18080500 0.74 NR1I3 (0.41) NR1I3MAPTRXFP1NR1I2CYP1A2
SCHEMBL16631705 0.73 TNKS (0.33) MAPTALDH1A1KDM4E
SCHEMBL16631937 0.73 KDM4E (0.37) MAPTRXFP1KMT2AALDH1A1KDM4E
SCHEMBL16631682 0.72 KMT2A (0.33) MAPTRXFP1KMT2A
SCHEMBL16631527 0.71 KMT2A (0.33) NR1I3MAPTRXFP1KMT2A
SCHEMBL18081932 0.69 MAPK1 (0.40) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL16631922 0.68 L3MBTL1 (0.35) MAPTRXFP1KMT2AALDH1A1KDM4E

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