SCHEMBL5300596

SCHEMBL5300596

CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3C(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
NR1I2 O75469 9/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HIF1A Q16665 1/20 0.44
ALOX12 P18054 2/20 0.43
CYP24A1 Q07973 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6015138 0.93 HPGD (0.54) HPGDNR1I2ALDH1A1LMNAKMT2A
SCHEMBL5300317 0.91 NR1I2 (0.48) HPGDNR1I2ALDH1A1LMNAKMT2A
SCHEMBL5292819 0.91 NR1I2 (0.48) HPGDNR1I2ALDH1A1LMNAKMT2A
SCHEMBL5285074 0.91 LMNA (0.53) HPGDNR1I2ALDH1A1LMNAKMT2A
SCHEMBL5410518 0.90 NR1I2 (0.61) HPGDNR1I2ALDH1A1LMNAKMT2A
SCHEMBL5281201 0.88 KMT2A (0.53) HPGDNR1I2ALDH1A1LMNAKMT2A
SCHEMBL5300268 0.88 NR1I2 (0.61) HPGDNR1I2ALDH1A1LMNAKMT2A
SCHEMBL5291553 0.88 NR1I2 (0.60) HPGDNR1I2ALDH1A1LMNAKMT2A
SCHEMBL2292224 0.88 NR1I2 (0.56) HPGDNR1I2ALDH1A1LMNAKMT2A
SCHEMBL2299600 0.87 NPC1 (0.48) NR1I2LMNAKMT2AMEN1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed