SCHEMBL5777932

SCHEMBL5777932

O=S(=O)(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1ccc(F)cc1.O=S(=O)(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.58
FFAR1 O14842 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
PKM P14618 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
PLA2G7 Q13093 1/20 0.48
ALOX15 P16050 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL1471255 0.98 PGR (0.60) PGRFFAR1FFAR4ALDH1A1HPGD
SCHEMBL1471508 0.89 FFAR4 (0.60) PGRFFAR1FFAR4ALDH1A1HPGD
SCHEMBL1471295 0.81 FFAR4 (0.54) FFAR1FFAR4ALDH1A1HPGDPLA2G7
SCHEMBL1472136 0.81 PPARG (0.48) PGRALDH1A1HPGDPKMCYP3A4
SCHEMBL1471671 0.78 EPAS1 (0.47) PGRALDH1A1HPGDPKMCYP1A2
SCHEMBL1472234 0.76 MEN1 (0.56) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL1472212 0.74 FFAR1 (0.64) PGRFFAR1FFAR4ALDH1A1HPGD
SCHEMBL1474224 0.74 FFAR4 (0.64) PGRFFAR1FFAR4MEN1KMT2A
SCHEMBL1471774 0.74 MEN1 (0.50) PGRFFAR1FFAR4ALDH1A1HPGD
SCHEMBL8298831 0.74 P2RX4 (0.39) ALDH1A1MEN1KMT2ALMNA

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-1651595-A2 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-05-03 EP claimed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed