SCHEMBL4705337

SCHEMBL4705337

Cc1ccc2c(OC(=O)ON3CCC(C)CC3)noc2n1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
GRM5 P41594 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
THRB P10828 1/20 0.31
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL4704008 0.88 IDO1 (0.36) GRM5GAASMN1; SMN2ALDH1A1HPGD
SCHEMBL4705335 0.84 GAA (0.46) GRM5GAAALDH1A1HPGDNPC1
SCHEMBL4704034 0.82 KMT2A (0.41) GAASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL4704006 0.72 GAA (0.45) GRM5GAASMN1; SMN2ALDH1A1HPGD
SCHEMBL1573877 0.67 KDM4E (0.41) GAASMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL1573602 0.67 KDM4E (0.51) GAASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL4703574 0.67 TP53 (0.45) GAASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL1573825 0.66 AXL (0.37) GAASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL4886065 0.66 KMT2A (0.54) GAASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL1573910 0.64 KMT2A (0.41) GAASMN1; SMN2ALDH1A1HPGDNPC1

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-1874741-A1 AZOLE DERIVATIVES IN THE FORM OF LIPASE AND PHOSPHOLIPASE INHIBITORS sanofi-aventis (FR) 2008-01-09 EP disclosed
WO-2006111321-A1 AZOLE DERIVATIVES IN THE FORM OF LIPASE AND PHOSPHOLIPASE INHIBITORS SANOFI-AVENTIS (DE) 2006-10-26 WO disclosed