SCHEMBL31095271

SCHEMBL31095271

CS(=O)(=O)c1ccccc1-c1cccc(B(O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.51
RAB9A P51151 2/20 0.41
KMT2A Q03164 1/20 0.41
BAZ2B Q9UIF8 2/20 0.40
BAZ2A Q9UIF9 2/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
BRD9 Q9H8M2 1/20 0.40
ENPP2 Q13822 5/20 0.40
F10 P00742 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD11B1 P28845 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL3836209 0.79 ALOX5AP (0.48) RAB9AKMT2AALOX5APFEN1PTGS2
SCHEMBL29953072 0.77 MGLL (0.58) MGLLENPP2KDM4EALDH1A1
SCHEMBL971732 0.76 MGLL (0.73) MGLLENPP2KDM4EALDH1A1CA4
SCHEMBL5734224 0.76 RAB9A (0.64) RAB9AKMT2AALOX5APFEN1F10
SCHEMBL13724201 0.76 ALOX5AP (0.48) RAB9AKMT2AALOX5APFEN1PTGS2
SCHEMBL937206 0.75 PTGS2 (0.61) RAB9AKMT2APTGS2KDM4EALDH1A1
SCHEMBL29415408 0.75 PTGS2 (0.61) RAB9AKMT2APTGS2KDM4EALDH1A1
SCHEMBL28797036 0.75 MGLL (0.60) MGLLENPP2KDM4EALDH1A1CA4
SCHEMBL5439666 0.74 MGLL (0.70) MGLLENPP2KDM4EALDH1A1CA4
SCHEMBL5171111 0.74 BAZ2B (0.50) RAB9AKMT2ABAZ2BBAZ2ABRD9

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-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 CN disclosed