SCHEMBL8156993

SCHEMBL8156993

Fc1cc(Cl)ccc1C(Cl)(Cl)Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.60
TSHR P16473 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
MAPK1 P28482 1/20 0.60
CYP3A5 P20815 5/20 0.41
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.35
HSD11B1 P28845 1/20 0.34
KMO O15229 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PDK2 Q15119 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL28707287 0.84 CYP3A4 (0.46) CYP3A4TSHRTDP1MAPK1CYP3A5
SCHEMBL18167274 0.83 CYP3A4 (0.56) CYP3A4TSHRTDP1MAPK1CYP3A5
SCHEMBL30898355 0.81 KIF11 (0.48) CYP3A4TSHRTDP1MAPK1CYP3A5
SCHEMBL3919252 0.81 KIF11 (0.48) CYP3A4TSHRTDP1MAPK1CYP3A5
SCHEMBL1690351 0.79 HDAC3 (0.42) CYP3A4TSHRTDP1MAPK1CYP3A5
SCHEMBL31433155 0.78 ALDH1A1 (0.42) CYP3A4TSHRTDP1MAPK1HDAC3
SCHEMBL11550172 0.78 ALDH1A1 (0.42) CYP3A4TSHRTDP1MAPK1HDAC3
SCHEMBL5354832 0.77 CYP3A4 (0.40) CYP3A4TSHRTDP1MAPK1CYP3A5
SCHEMBL11683376 0.77 TSHR (0.68) CYP3A4TSHRTDP1MAPK1TP53
SCHEMBL2795577 0.76 HDAC3 (0.40) CYP3A4TSHRTDP1MAPK1CYP3A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788494-B1 PROCESS FOR THE PREPARATION OF FUROSEMIDE PROTEOS SRL (IT) 2000-02-09 EP claimed
US-5739361-A PHOTOCHLORINATION, SULFONATION, AMMONOLYSIS AND CONDENSATION WITH FURFURYLAMINE PROTEOS S.R.L. (IT) 1998-04-14 US claimed
EP-0788494-A1 PROCESS FOR THE PREPARATION OF FUROSEMIDE PROTEOS S.R.L. (IT) 1997-08-13 EP claimed
WO-1996012714-A1 PROCESS FOR THE PREPARATION OF FUROSEMIDE PROTEOS S.R.L. (IT) 1996-05-02 WO claimed
US-4163753-A FROM AN ALIPHATIC ACID ANHYDRIDE AND A TRICHLOROMETHYL AROMATIC COMPOUND Diaz Chemical Corporation (US) 1979-08-07 US claimed
EP-0788494-B1 PROCESS FOR THE PREPARATION OF FUROSEMIDE PROTEOS SRL (IT) 2000-02-09 EP disclosed
EP-0788494-B1 PROCESS FOR THE PREPARATION OF FUROSEMIDE PROTEOS SRL (IT) 2000-02-09 EP disclosed
US-5739361-A PHOTOCHLORINATION, SULFONATION, AMMONOLYSIS AND CONDENSATION WITH FURFURYLAMINE PROTEOS S.R.L. (IT) 1998-04-14 US disclosed
US-5739361-A PHOTOCHLORINATION, SULFONATION, AMMONOLYSIS AND CONDENSATION WITH FURFURYLAMINE PROTEOS S.R.L. (IT) 1998-04-14 US disclosed
EP-0788494-A1 PROCESS FOR THE PREPARATION OF FUROSEMIDE PROTEOS S.R.L. (IT) 1997-08-13 EP disclosed
EP-0788494-A1 PROCESS FOR THE PREPARATION OF FUROSEMIDE PROTEOS S.R.L. (IT) 1997-08-13 EP disclosed
WO-1996012714-A1 PROCESS FOR THE PREPARATION OF FUROSEMIDE PROTEOS S.R.L. (IT) 1996-05-02 WO disclosed
WO-1996012714-A1 PROCESS FOR THE PREPARATION OF FUROSEMIDE PROTEOS S.R.L. (IT) 1996-05-02 WO disclosed
US-4163753-A FROM AN ALIPHATIC ACID ANHYDRIDE AND A TRICHLOROMETHYL AROMATIC COMPOUND Diaz Chemical Corporation (US) 1979-08-07 US disclosed