SCHEMBL2145861

SCHEMBL2145861

O=C(O)c1ncn(CCOc2ccccc2)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
CNOT7 Q9UIV1 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
GAA P10253 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 3/20 0.46
PTPN7 P35236 2/20 0.43
DUSP3 P51452 1/20 0.43
TBXAS1 P24557 1/20 0.43

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
SCHEMBL2145473 0.89 GAA (0.51) L3MBTL1CNOT7NPC1RAB9ASMN1; SMN2
SCHEMBL2145878 0.87 RXFP1 (0.48) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL2145351 0.85 NSD2 (0.49) ALDH1A1TBXAS1LTA4H
SCHEMBL2145876 0.84 NPC1 (0.47) L3MBTL1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL2145870 0.83 MAPK1 (0.57) L3MBTL1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL2145709 0.80 TBXAS1 (0.51) L3MBTL1SMN1; SMN2TSHRLMNAALOX15
SCHEMBL2145752 0.75 NSD2 (0.49) NPC1RAB9ASMN1; SMN2GAAHTT
SCHEMBL2145646 0.74 GAA (0.51) L3MBTL1CNOT7NPC1RAB9ASMN1; SMN2
SCHEMBL2146055 0.74 RAB9A (0.45) L3MBTL1CNOT7NPC1RAB9ASMN1; SMN2
SCHEMBL2145277 0.73 NSD2 (0.51) ALDH1A1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040702-B1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2011-07-27 EP claimed