SCHEMBL30108060

SCHEMBL30108060

COc1ccc2c(c1)nnn2-c1nc(SC)nc(Cl)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 6/20 0.36
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 5/20 0.35
KDM4E B2RXH2 4/20 0.35
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PDE2A O00408 2/20 0.34
PDE10A Q9Y233 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL30108053 0.82 PDGFRB (0.37) MAPTLMNAHSD17B10TSHRALDH1A1
SCHEMBL30107966 0.78 TSHR (0.40) MAPTLMNAHSD17B10TSHRALDH1A1
SCHEMBL30107974 0.73 MAPT (0.40) MAPTLMNAHSD17B10TSHRALDH1A1
SCHEMBL4590708 0.69 L3MBTL1 (0.48) MAPTLMNAHSD17B10TSHRL3MBTL1
SCHEMBL30107975 0.68 L3MBTL1 (0.40) LMNATSHRALDH1A1GFERL3MBTL1
SCHEMBL30108037 0.68 TRPC5 (0.37) MAPTLMNAHSD17B10TSHRALDH1A1
SCHEMBL19848194 0.66 NPC1 (0.60) MAPTLMNATSHRALDH1A1L3MBTL1
SCHEMBL19848195 0.65 ALDH1A1 (0.45) MAPTLMNATSHRALDH1A1L3MBTL1
SCHEMBL26608053 0.65 L3MBTL1 (0.39) MAPTALDH1A1L3MBTL1SMN1; SMN2PDE2A
SCHEMBL29069569 0.64 NPC1 (0.43) MAPTLMNATSHRALDH1A1L3MBTL1

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