SCHEMBL4632933

SCHEMBL4632933

[2H]C([2H])N(c1c(C)cccc1C)c1cc(C(=O)OCC)cc2c1nc(C)n2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
PABPC1 P11940 1/20 0.35
PDE2A O00408 1/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
STAT6 P42226 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 2/20 0.34

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
SCHEMBL4634190 0.86 SLC22A12 (0.34) RAB9ANPC1ALDH1A1GAAHPGD
SCHEMBL4632998 0.85 KDM4E (0.35) RAB9ANPC1KDM4EPABPC1ALDH1A1
SCHEMBL4633218 0.80 KDM4E (0.33) KDM4EPABPC1ALDH1A1GAAHPGD
SCHEMBL4634183 0.78 KDM4E (0.35) RAB9ANPC1KDM4EPABPC1ALDH1A1
SCHEMBL5901208 0.73 CYP3A4 (0.60) SMN1; SMN2RAB9ANPC1ALOX15KDM4E
SCHEMBL4664696 0.73 CA12 (0.51) SMN1; SMN2RAB9ANPC1ALOX15PABPC1
SCHEMBL4634178 0.72 CA12 (0.43) SMN1; SMN2RAB9ANPC1ALOX15KDM4E
SCHEMBL5901696 0.71 CYP3A4 (0.53) SMN1; SMN2RAB9ANPC1ALOX15KDM4E
SCHEMBL5901336 0.69 PPIA (0.47) SMN1; SMN2RAB9ANPC1ALOX15PDE2A
SCHEMBL4632328 0.69 KMT2A (0.49) SMN1; SMN2RAB9ANPC1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926714-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES Nycomed GmbH (DE) 2008-06-04 EP claimed
WO-2007023135-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2007-03-01 WO claimed
EP-1926714-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES Nycomed GmbH (DE) 2008-06-04 EP disclosed
WO-2007023135-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2007-03-01 WO disclosed