SCHEMBL30107975

SCHEMBL30107975

COc1ccc2c(c1)nnn2-c1cc(Cl)nc(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 5/20 0.39
POLB P06746 3/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GFER P55789 1/20 0.38
PDE2A O00408 3/20 0.38
PDE10A Q9Y233 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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) L3MBTL1ALDH1A1POLBHTTTDP1
SCHEMBL30108036 0.84 PIM1 (0.46) L3MBTL1ALDH1A1POLBHTTTDP1
SCHEMBL30107973 0.80 KDM4E (0.46) ALDH1A1POLBHTTTDP1SMN1; SMN2
SCHEMBL30107968 0.79 IDH1 (0.35) L3MBTL1ALDH1A1POLBHTTTDP1
SCHEMBL30107965 0.78 MET (0.40) L3MBTL1ALDH1A1POLBHTTTDP1
SCHEMBL4590708 0.75 L3MBTL1 (0.48) L3MBTL1POLBTSHRKDM4ENPC1
SCHEMBL30108038 0.72 PIM1 (0.46) ALDH1A1POLBHTTSMN1; SMN2KDM4E
SCHEMBL30107974 0.72 MAPT (0.40) L3MBTL1ALDH1A1POLBHTTTDP1
SCHEMBL19848194 0.72 NPC1 (0.60) L3MBTL1ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL19848195 0.71 ALDH1A1 (0.45) L3MBTL1ALDH1A1TDP1PDE10ATSHR

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