SCHEMBL30512967

SCHEMBL30512967

CC1(C)Cc2cc(Br)ccc2C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.43
TDP2 O95551 1/20 0.42
MAOB P27338 2/20 0.41
METAP1 P53582 2/20 0.40
UTS2R Q9UKP6 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
BRD4 O60885 1/20 0.37
S100A4 P26447 1/20 0.37
PTPRC P08575 1/20 0.37
AVPR1A P37288 1/20 0.37
MAPT P10636 1/20 0.36
SRD5A1 P18405 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 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
SCHEMBL29922140 0.80 MALT1 (0.43) MALT1MAOBKDM4EALDH1A1AVPR1A
SCHEMBL29922056 0.80 LMNA (0.53) TDP2MAOBKDM4EALDH1A1S100A4
SCHEMBL1110064 0.77 POLB (0.54) MAOBUTS2RMAPTL3MBTL1POLB
SCHEMBL31185052 0.75 MAPT (0.40) MALT1MAOBKDM4EALDH1A1BRD4
SCHEMBL5269029 0.75 MAPT (0.40) MALT1MAOBKDM4EALDH1A1BRD4
SCHEMBL1500161 0.74 TDP2 (0.46) MALT1TDP2METAP1ALDH1A1PARP10
SCHEMBL6552997 0.73 ALDH1A1 (0.67) MALT1MAOBKDM4EALDH1A1MAPT
SCHEMBL29640611 0.73 ALDH1A1 (0.67) MALT1MAOBKDM4EALDH1A1MAPT
SCHEMBL29922163 0.73 CA1 (0.42) MAOBKDM4EALDH1A1MAPTCA1
SCHEMBL13950513 0.72 TDP2 (0.45) TDP2METAP1KDM4EALDH1A1PARP10

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-2023138612-A1 HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-27 WO disclosed