SCHEMBL4658934

SCHEMBL4658934

O=C(O)C(Cc1ccccc1)n1ccc2cc(N[S+]([O-])c3ccc(OC(F)(F)F)cc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
SERPINE1 P05121 2/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
CTSS P25774 2/20 0.37
PLA2G10 O15496 2/20 0.36
PLA2G2A P14555 2/20 0.36
PLA2G5 P39877 2/20 0.36
HPGD P15428 1/20 0.36
PLA2G4A P47712 1/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ACHE P22303 1/20 0.35
EPHX2 P34913 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3204087 0.84 SERPINE1 (0.54) FPR2SMN1; SMN2MAPTSERPINE1POLB
SCHEMBL4659034 0.83 FPR2 (0.52) FPR2CTSSHPGDPPARA
SCHEMBL27718131 0.77 FPR2 (0.41) FPR2SMN1; SMN2MAPTSERPINE1PLA2G1B
SCHEMBL27718130 0.77 FPR2 (0.41) FPR2SMN1; SMN2MAPTSERPINE1PLA2G1B
SCHEMBL3200336 0.77 SERPINE1 (0.51) FPR2SMN1; SMN2MAPTSERPINE1
SCHEMBL13319075 0.70 BRPF1 (0.43) SMN1; SMN2MAPTHPGDPLA2G4ATP53
SCHEMBL28771761 0.68 HSD17B10 (0.50) SMN1; SMN2MAPTPOLBKMT2AALDH1A1
SCHEMBL3206680 0.68 NTSR1 (0.53) FPR2SERPINE1
SCHEMBL13319074 0.66 NR3C2 (0.41) SMN1; SMN2MAPTHPGDPLA2G4AKMT2A
SCHEMBL8239652 0.63 NTSR1 (0.41) MAPTPOLBKMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919866-A2 SUBSTITUTED INDOLES AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP claimed
WO-2007022321-A2 SUBSTITUTED INDOLES AND USE THEREOF WYETH (US) 2007-02-22 WO claimed
EP-1919866-A2 SUBSTITUTED INDOLES AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007022321-A2 SUBSTITUTED INDOLES AND USE THEREOF WYETH (US) 2007-02-22 WO disclosed