SCHEMBL7849777

SCHEMBL7849777

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PSMD10 O75832 1/20 0.38
MMP13 P45452 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5550702 0.93 ALDH1A1 (0.48) ALDH1A1HSD17B10NPSR1HPGDKMT2A
SCHEMBL9162906 0.82 PSMD10 (0.40) ALDH1A1KMT2AMEN1GAAPSMD10
SCHEMBL22284359 0.78 GPR119 (0.49) KMT2AMEN1GPR119MMP13TP53
SCHEMBL9703324 0.77 MEN1 (0.51) KMT2AMEN1SMN1; SMN2GPR119MMP13
SCHEMBL8651411 0.76 GPR119 (0.67) KMT2AMEN1GPR119MMP13
SCHEMBL31683631 0.76 GPR119 (0.67) KMT2AMEN1GPR119MMP13
SCHEMBL16759629 0.75 ALDH1A1 (0.55) ALDH1A1HSD17B10NPSR1HPGDKMT2A
SCHEMBL22032226 0.75 GPR119 (0.68) KMT2AMEN1GPR119MMP13
SCHEMBL31746376 0.75 GPR119 (0.68) KMT2AMEN1GPR119MMP13
SCHEMBL30750650 0.75 GPR119 (0.51) KMT2AMEN1GPR119MMP13TP53

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-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed