SCHEMBL23247697

SCHEMBL23247697

Cc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3cc(B(O)O)cnc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
PTPN11 Q06124 1/20 0.51
HTR6 P50406 3/20 0.45
BRD4 O60885 4/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
KDM4E B2RXH2 1/20 0.40
UBE2N P61088 1/20 0.40
GAA P10253 1/20 0.39
AGTR1 P30556 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL23247251 0.84 L3MBTL1 (0.58) L3MBTL1PTPN11HTR6BRD4LMNA
SCHEMBL23247911 0.81 PTPN11 (0.46) L3MBTL1PTPN11LMNAALDH1A1MAPT
SCHEMBL4166790 0.81 PTPN11 (0.52) L3MBTL1PTPN11BRD4LMNAALDH1A1
SCHEMBL4171120 0.81 PTPN11 (0.75) L3MBTL1PTPN11BRD4
SCHEMBL23247658 0.80 PTPN11 (0.43) L3MBTL1PTPN11HTR6BRD4SMN1; SMN2
SCHEMBL23248036 0.80 PTPN11 (0.39) L3MBTL1PTPN11HTR6BRD4MAPT
SCHEMBL23247722 0.79 PTPN11 (0.42) L3MBTL1PTPN11HTR6BRD4SMN1; SMN2
SCHEMBL8944259 0.78 L3MBTL1 (0.67) L3MBTL1PTPN11HTR6LMNAALDH1A1
SCHEMBL23248021 0.78 PTPN11 (0.43) PTPN11
SCHEMBL4159580 0.78 PTPN11 (0.56) L3MBTL1PTPN11HTR6BRD4LMNA

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-2021074279-A1 SPIRO-FUSED TRICYCLIC MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-04-22 WO disclosed