SCHEMBL7130818

SCHEMBL7130818

O=C(O)CC(CS(=O)(=O)c1ccc(Oc2ccc(Nc3nc(-c4ccc(F)cc4)cs3)cc2)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
MAPK1 P28482 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.50
NPY5R Q15761 1/20 0.50
PTGS2 P35354 1/20 0.49
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALOX5 P09917 3/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 1/20 0.47
PTGES O14684 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
CSNK2A1 P68400 1/20 0.44

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
SCHEMBL7138759 0.93 PTGS2 (0.48) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL7135328 0.85 GCK (0.47) KMT2ASMN1; SMN2FNTAFNTBLMNA
SCHEMBL205699 0.78 NPY5R (0.78) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL7137876 0.76 CCR4 (0.44) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7077860 0.75 GABBR2 (0.49) MAPTALDH1A1FNTAFNTBRAB9A
SCHEMBL7077840 0.75 GABBR2 (0.49) MAPTALDH1A1FNTAFNTBRAB9A
SCHEMBL12297209 0.72 PTGS2 (0.67) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL7132373 0.71 SCN1A (0.46) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL12297701 0.71 PTGS2 (0.65) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL12297326 0.70 PTGS2 (0.83) MAPTMEN1KMT2AMAPK1SMN1; 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
WO-2003059872-A1 AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO disclosed