SCHEMBL5550702

SCHEMBL5550702

Cc1ccc(S(=O)(=O)OCCC(C)(C)OC(=O)N2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 1/20 0.48
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MMP13 P45452 1/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7849777 0.93 ALDH1A1 (0.46) ALDH1A1HSD17B10NPSR1HPGDKMT2A
SCHEMBL12969785 0.81 STAT3 (0.41) ALDH1A1KMT2AMEN1GAARAB9A
SCHEMBL16759629 0.77 ALDH1A1 (0.55) ALDH1A1HSD17B10NPSR1HPGDKMT2A
SCHEMBL28693175 0.76 ALDH1A1 (0.56) ALDH1A1HSD17B10NPSR1HPGDKMT2A
SCHEMBL31420242 0.76 KMT2A (0.53) KMT2AMEN1SMN1; SMN2MMP13GPR119
SCHEMBL27865912 0.76 KMT2A (0.52) ALDH1A1HSD17B10NPSR1HPGDKMT2A
SCHEMBL22118707 0.76 ALDH1A1 (0.52) ALDH1A1HSD17B10NPSR1HPGDKMT2A
SCHEMBL282240 0.75 GPR119 (0.60) KMT2AMEN1MMP13GPR119
SCHEMBL1644013 0.75 CA12 (0.40) ALDH1A1HPGDKMT2AMEN1GAA
SCHEMBL31662276 0.75 CA12 (0.40) ALDH1A1HPGDKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 WO disclosed