SCHEMBL31218239

SCHEMBL31218239

COC(=O)c1cc(Cl)c(C(=O)Cl)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
SOS1 Q07889 1/20 0.43
ABL1 P00519 1/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
PDK2 Q15119 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
SCHEMBL8378560 0.91 GAA (0.49) GAASOS1ABL1HTTMAPT
SCHEMBL3681759 0.86 LCK (0.47) GAASOS1ABL1HTTMAPT
SCHEMBL30337032 0.86 LCK (0.47) GAASOS1ABL1HTTMAPT
SCHEMBL31301254 0.84 GAA (0.49) GAASOS1ABL1HTTKMT2A
SCHEMBL197110 0.83 SOS1 (0.50) GAASOS1ABL1MAPTKMT2A
SCHEMBL16869865 0.83 LCK (0.51) GAASOS1ABL1HTTMAPT
SCHEMBL26519870 0.81 KMT2A (0.52) GAAMAPTNPSR1KMT2AHPGD
SCHEMBL3689533 0.81 GAA (0.46) GAASOS1ABL1HTTMAPT
SCHEMBL17118715 0.80 MAPT (0.47) GAASOS1ABL1HTTMAPT
SCHEMBL31487952 0.80 MAPT (0.47) GAASOS1ABL1HTTMAPT

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-119143719-A Preparation method of LH-1801 key intermediate 扬州市普林斯医药科技有限公司 2024-12-17 CN disclosed