SCHEMBL10070607

SCHEMBL10070607

NCCOc1cc(OCCNC(=O)C(Cl)(Cl)Cl)c(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PLAU P00749 2/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 3/20 0.37
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL10079674 0.76 KDM4E (0.48) MEN1KMT2APLAURAB9ASMN1; SMN2
SCHEMBL10079637 0.71 KDM4E (0.50) MEN1KMT2APLAURAB9ASMN1; SMN2
SCHEMBL11224213 0.67 LMNA (0.35) PKMRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL13660347 0.64 MEN1 (0.45) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL8311758 0.63 ALDH1A1 (0.38) PKMMEN1KMT2ARAB9ANPC1
SCHEMBL4841594 0.63 MAPT (0.49) MEN1KMT2APLAURAB9ANPC1
SCHEMBL10810009 0.63 ZDHHC20 (0.45) RAB9ASMN1; SMN2LMNATP53MAPK1
SCHEMBL1872509 0.63 LMNA (0.45) RAB9ASMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL10971819 0.63 GAA (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL4841582 0.62 MAPT (0.48) MEN1KMT2APLAURAB9ANPC1

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
WO-2012020221-A1 COMPOUNDS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed