SCHEMBL30107974

SCHEMBL30107974

COc1ccc2c(c1)nnn2-c1cc([Sn](C)(C)C)nc(SC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 7/20 0.36
POLB P06746 4/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
PIM1 P11309 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GFER P55789 1/20 0.32
NPC1 O15118 1/20 0.32
NQO2 P16083 1/20 0.32
RAB9A P51151 1/20 0.32
MTNR1A P48039 1/20 0.32

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
SCHEMBL30107966 0.85 TSHR (0.40) MAPTLMNATSHRHSD17B10TDP1
SCHEMBL30108037 0.78 TRPC5 (0.37) MAPTLMNATSHRHSD17B10TDP1
SCHEMBL30107949 0.75 HTT (0.34) MAPTLMNATSHRHSD17B10TDP1
SCHEMBL30108047 0.74 RAB9A (0.39) MAPTHSD17B10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL30108060 0.73 MAPT (0.38) MAPTLMNATSHRHSD17B10TDP1
SCHEMBL30107975 0.72 L3MBTL1 (0.40) LMNATSHRTDP1ALDH1A1POLB
SCHEMBL30108036 0.67 PIM1 (0.46) MAPTHSD17B10TDP1ALDH1A1POLB
SCHEMBL30108038 0.67 PIM1 (0.46) LMNAHSD17B10ALDH1A1POLBHTT
SCHEMBL19848194 0.67 NPC1 (0.60) MAPTLMNATSHRALDH1A1POLB
SCHEMBL19848195 0.66 ALDH1A1 (0.45) MAPTLMNATSHRTDP1ALDH1A1

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-2022203399-A1 ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF 주식회사 스탠다임 2022-09-29 WO disclosed