SCHEMBL2229113

SCHEMBL2229113

Clc1ccc2ncc3ncccc3c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NR4A2 P43354 4/20 0.51
CYP3A4 P08684 1/20 0.47
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL9822370 0.84 CYP3A4 (0.63) MAPTKDM4ENR4A2CYP3A4LMNA
SCHEMBL2231455 0.78 KDM4E (0.68) MAPTKDM4ECYP3A4LMNAHTT
SCHEMBL27999878 0.78 NR4A2 (0.59) MAPTKDM4ENR4A2CYP3A4LMNA
SCHEMBL4326486 0.76 MET (0.49) MAPTKDM4ENR4A2CYP3A4LMNA
SCHEMBL217044 0.76 MAPT (1.00) MAPTKDM4ENR4A2CYP3A4LMNA
SCHEMBL10416445 0.75 MET (0.57) MAPTKDM4ENR4A2CYP3A4LMNA
SCHEMBL25195755 0.74 KDM4E (0.61) MAPTKDM4ECYP3A4LMNAHTT
SCHEMBL12731938 0.74 MAPT (0.61) MAPTKDM4ECYP3A4LMNAHTT
Hydrochloric Acid SCHEMBL28420480 0.73 MAPT (0.94) MAPTKDM4ENR4A2CYP3A4LMNA
SCHEMBL2208273 0.73 KDM4E (0.62) MAPTKDM4ENR4A2HTTGABRA1

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-2512478-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF Novartis AG (CH) 2012-10-24 EP disclosed
WO-2011084549-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-07-14 WO disclosed