SCHEMBL9800630

SCHEMBL9800630

Cc1ccnc2ccc(Oc3ccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.64
NR3C1 P04150 1/20 0.64
AR P10275 1/20 0.64
ESR2 Q92731 1/20 0.64
AXL P30530 2/20 0.53
CLK1 P49759 1/20 0.53
HSD17B2 P37059 1/20 0.52
TSHR P16473 1/20 0.48
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
KMT2A Q03164 1/20 0.46
HSPD1 P10809 2/20 0.46
PTPN2 P17706 2/20 0.46
PTPN1 P18031 2/20 0.46
PTPN5 P54829 2/20 0.46
HSPE1 P61604 2/20 0.46
GSK3B P49841 1/20 0.46
CYP2D6 P10635 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45

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
SCHEMBL9447051 0.84 PGR (0.60) PGRNR3C1ARESR2AXL
SCHEMBL9447018 0.83 PGR (0.67) PGRNR3C1ARESR2AXL
SCHEMBL9446948 0.81 PGR (0.67) PGRNR3C1ARESR2AXL
SCHEMBL9800673 0.80 PGR (0.56) PGRARTSHRKMT2A
SCHEMBL1472100 0.79 PGR (0.71) PGRNR3C1ARESR2AXL
SCHEMBL19878474 0.78 KDR (0.72) PGRNR3C1ARESR2AXL
SCHEMBL10650464 0.77 NR3C1 (0.60) PGRNR3C1ARESR2AXL
SCHEMBL4548881 0.73 AXL (0.73) AXLPLAUPLATKDRMAPK14
SCHEMBL9447154 0.73 SLC40A1 (0.65) PGRNR3C1ARESR2AXL
SCHEMBL4460261 0.73 BRAF (0.73) PGRNR3C1ARESR2BRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261539-B1 SUBSTITUTED PHENYL-SULPHON AMIDES BAYER AG (DE) 1991-03-06 EP disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed