SCHEMBL21343390

SCHEMBL21343390

O=S(=O)(Oc1ccc(Br)c2oc3ccccc3c12)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC14B O60729 9/20 0.52
CDC14A Q9UNH5 9/20 0.52
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PTPRC P08575 2/20 0.34
PTPN1 P18031 2/20 0.34
PTPN6 P29350 2/20 0.34
EPM2A O95278 1/20 0.34
PTPN2 P17706 1/20 0.34
ACP1 P24666 1/20 0.34
PTPN7 P35236 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
PTPN13 Q12923 1/20 0.34
DUSP23 Q9BVJ7 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
MAOA P21397 5/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL27138739 0.86 CDC14B (0.39) CDC14BCDC14AALDH1A1LMNAMAPT
SCHEMBL27149441 0.84 KDM4E (0.40) CDC14BCDC14ACYP19A1KDM4EALDH1A1
SCHEMBL26399875 0.82 CDC14B (0.38) CDC14BCDC14APTPRCPTPN1PTPN6
SCHEMBL18795081 0.81 CDC14B (0.46) CDC14BCDC14ACYP19A1MAOAKDM4E
SCHEMBL24627972 0.76 CNR2 (0.35) CDC14BCDC14APTPRCPTPN1PTPN6
SCHEMBL2620741 0.76 CNR2 (0.38) CDC14BCDC14AMAOAKDM4ENPC1
SCHEMBL21313423 0.76 PKM (0.43) LMNAL3MBTL1MEN1GAAPKM
SCHEMBL26389769 0.76 CNR2 (0.42) CYP19A1KDM4EALDH1A1CNR2L3MBTL1
SCHEMBL29467235 0.76 CNR2 (0.42) CYP19A1KDM4EALDH1A1CNR2L3MBTL1
SCHEMBL24627968 0.76 CDC14B (0.38) CDC14BCDC14AMAOAKDM4ENPC1

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-2019170578-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-12 WO disclosed