SCHEMBL7146763

SCHEMBL7146763

O=C(O)OC1=Cc2cc(S(=O)(=O)NCc3ccccc3)ccc2OC1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 3/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 4/20 0.41
SLC12A2 P55011 1/20 0.41
SLC12A5 Q9H2X9 1/20 0.41
RAB9A P51151 2/20 0.41
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7148773 0.90 AKR1C3 (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL7140451 0.87 MEN1 (0.46) HPGDALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL215548 0.85 PTGS2 (0.56) HPGDALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6092332 0.85 PTGS2 (0.56) HPGDALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL29527819 0.85 PTGS2 (0.56) HPGDALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL7142073 0.85 PTGS2 (0.41) TSHRLMNAPTGS1PTGS2
SCHEMBL7148454 0.84 PDK1 (0.45) HPGDALDH1A1KMT2AMEN1LMNA
SCHEMBL7145053 0.84 PTGS2 (0.42) ALDH1A1LMNAPTGS1PTGS2
SCHEMBL7144308 0.83 PTGS2 (0.43) RAB9APTGS1PTGS2
SCHEMBL6094273 0.81 PTGS2 (0.50) HPGDALDH1A1MAPTKMT2ASMN1; SMN2

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-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP claimed