SCHEMBL10071002

SCHEMBL10071002

CCCCOc1c(C(=O)O)nc2c(N(C)SC)cc(N3CCN(C)CC3)cn2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
NOD2 Q9HC29 1/20 0.31
LCK P06239 1/20 0.30
SRC P12931 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL10070429 0.92 HPGD (0.35) TSHRHSD17B10MAPTHPGDTAAR1
SCHEMBL10070942 0.80 HSD17B10 (0.36) TSHRHSD17B10MAPTHPGDTAAR1
SCHEMBL10070392 0.79 TLR7 (0.30)
SCHEMBL10070414 0.75 CNR2 (0.39) CNR2TP53KMT2A
SCHEMBL12894051 0.75 MAPT (0.39) HSD17B10MAPTHPGDALDH1A1NPSR1
SCHEMBL12894058 0.74 ALDH1A1 (0.38) HSD17B10MAPTHPGDALDH1A1NPSR1
SCHEMBL10070043 0.73 TSHR (0.35) TSHRHSD17B10MAPTHPGDTAAR1
SCHEMBL10070066 0.72 MAPT (0.37) HSD17B10MAPTHPGDCNR2ALDH1A1
SCHEMBL10070425 0.72 SYK (0.40) TSHRHSD17B10MAPTHPGDTAAR1
SCHEMBL10070064 0.72 HPGD (0.35) TSHRHSD17B10MAPTHPGDTAAR1

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-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 WO disclosed