SCHEMBL29923720

SCHEMBL29923720

COc1cc(Br)c2nc(C)cc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
CRHR1 P34998 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
SLC2A1 P11166 1/20 0.32
PTPN11 Q06124 1/20 0.32
RAD52 P43351 1/20 0.32
DDR1 Q08345 1/20 0.32
KCNH2 Q12809 2/20 0.31
NFKBIA P25963 1/20 0.31
EPAS1 Q99814 1/20 0.31
NQO2 P16083 1/20 0.31
PRNP P04156 1/20 0.31

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
SCHEMBL29923425 0.83 L3MBTL1 (0.36) MAPTSMN1; SMN2
SCHEMBL1223959 0.80 POLB (0.52) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27167323 0.75 GPR35 (0.30) LMNA
SCHEMBL9909176 0.72 GAA (0.38) ALDH1A1KDM4EHPGDMAPTRXFP1
SCHEMBL24915777 0.72 MAPT (0.42) POLBCRHR1ALDH1A1KDM4EHPGD
SCHEMBL29134970 0.71 EPAS1 (0.43) POLBKDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL13209743 0.70 CYP1A2 (0.47) POLBKDM4EHSD17B10MAPTLMNA
SCHEMBL26632748 0.70 MAPT (0.46) POLBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL19616463 0.70 MAOB (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2CA1
SCHEMBL30064839 0.70 MAOB (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2CA1

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
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed