SCHEMBL4704034

SCHEMBL4704034

CC1CCN(OC(=O)Oc2noc3ncccc23)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTSB P07858 2/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
GAA P10253 1/20 0.34
FAAH O00519 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4886065 0.84 KMT2A (0.54) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL4705337 0.82 ADORA2A (0.33) KMT2AALDH1A1MEN1GAANPC1
SCHEMBL4704008 0.81 IDO1 (0.36) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL4705939 0.78 KMT2A (0.41) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL1573910 0.78 KMT2A (0.41) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL1573877 0.71 KDM4E (0.41) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL1573602 0.71 KDM4E (0.51) KMT2AALDH1A1MEN1NPSR1GAA
SCHEMBL4703574 0.71 TP53 (0.45) KMT2AALDH1A1MEN1GAANPC1
SCHEMBL4705335 0.66 GAA (0.46) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL4704006 0.65 GAA (0.45) KMT2AALDH1A1MEN1CYP1A2CYP3A4

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