SCHEMBL30713468

SCHEMBL30713468

Clc1ccc2nc3ccccc3nc2c1Cl.[Sn]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
RAB9A P51151 3/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
NQO2 P16083 8/20 0.43
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2A6 P11509 1/20 0.39
MEN1 O00255 1/20 0.38
KEAP1 Q14145 1/20 0.38

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
SCHEMBL5159004 0.98 MAPT (0.48) MAPTRAB9AGAAALDH1A1KMT2A
SCHEMBL7913552 0.82 MYC (0.49) MAPTRAB9AGAAALDH1A1KMT2A
SCHEMBL1992456 0.80 CYP2A6 (0.45) MAPTALDH1A1KMT2AMAOAMAOB
SCHEMBL10431938 0.78 NQO2 (0.56) MAPTRAB9AGAAALDH1A1KMT2A
SCHEMBL13313381 0.78 MAPT (0.53) MAPTRAB9AGAAALDH1A1KMT2A
SCHEMBL10431937 0.78 NQO2 (0.47) MAPTRAB9AGAAALDH1A1KMT2A
SCHEMBL4654883 0.77 MAPT (0.69) MAPTRAB9AGAAALDH1A1KMT2A
SCHEMBL6304308 0.76 TDP1 (0.44) MAPTRAB9AGAAKMT2AMAOA
SCHEMBL265259 0.76 ALDH1A1 (0.56) MAPTRAB9AGAAALDH1A1KMT2A
SCHEMBL31487872 0.76 ALDH1A1 (0.56) MAPTRAB9AGAAALDH1A1KMT2A

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
CN-117295731-A Prodrugs of PDE10 compounds 默沙东有限责任公司 2023-12-26 CN disclosed