SCHEMBL6943649

SCHEMBL6943649

CCc1cnc(Cc2ccc3c(c2)OCO3)nc1O.COC(=O)Cc1c(O)nc(Cc2ccc3c(c2)OCO3)nc1O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 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
SCHEMBL6943282 0.92 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AHPGDHSD17B10
SCHEMBL6941106 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AHPGDHSD17B10
SCHEMBL6942607 0.86 CYP3A4 (0.45) SMN1; SMN2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL6944624 0.83 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AHPGDHSD17B10
SCHEMBL6941343 0.80 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AHPGDHSD17B10
SCHEMBL6945057 0.79 ALDH1A1 (0.46) HSD17B10ALDH1A1CYP3A4
SCHEMBL6942379 0.79 TSHR (0.47) SMN1; SMN2MEN1KMT2AHPGDHSD17B10
SCHEMBL6942002 0.79 CALM1 (0.45) SMN1; SMN2MEN1KMT2AHPGDHSD17B10
SCHEMBL6937614 0.77 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AHPGDHSD17B10
SCHEMBL6939898 0.77 GAA (0.49) MEN1KMT2AHPGDALDH1A1CYP3A4

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-1268471-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-02 EP disclosed
WO-2001072744-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2001-10-04 WO disclosed