SCHEMBL9447018

SCHEMBL9447018

O=S(=O)(Nc1ccc(Oc2ccc3ncccc3c2)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.67
NR3C1 P04150 1/20 0.67
AR P10275 1/20 0.67
ESR2 Q92731 1/20 0.67
SLC40A1 Q9NP59 1/20 0.56
CLK1 P49759 1/20 0.55
TSHR P16473 1/20 0.54
PLAU P00749 1/20 0.51
PLAT P00750 1/20 0.51
PTPN2 P17706 3/20 0.50
PTPN1 P18031 3/20 0.50
PTPN5 P54829 3/20 0.50
HSPD1 P10809 2/20 0.50
HSPE1 P61604 2/20 0.50
AXL P30530 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL10650464 0.93 NR3C1 (0.60) PGRNR3C1ARESR2SLC40A1
SCHEMBL9446948 0.92 PGR (0.67) PGRNR3C1ARESR2SLC40A1
SCHEMBL9800662 0.88 NR3C1 (0.52) PGRNR3C1ARESR2SLC40A1
SCHEMBL10650394 0.85 SLC40A1 (0.61) PGRNR3C1ARESR2SLC40A1
SCHEMBL9447154 0.84 SLC40A1 (0.65) PGRNR3C1ARESR2SLC40A1
SCHEMBL10653162 0.84 TSHR (0.52) PGRNR3C1ARESR2SLC40A1
SCHEMBL9800630 0.83 PGR (0.64) PGRNR3C1ARESR2CLK1
SCHEMBL9800657 0.82 FFAR4 (0.62) PGRARTSHRKMT2AALDH1A1
SCHEMBL10657386 0.80 SLC40A1 (0.59) PGRNR3C1ARESR2SLC40A1
SCHEMBL9446946 0.80 PGR (0.62) PGRARSLC40A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202336-A Lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5093340-A Lipoxygenase enzyme inhibitors, antithrombolytic agents BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5070096-A ANTICOAGULANTS, LIPOXYGENASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
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