SCHEMBL3667276

SCHEMBL3667276

[c]1sc2ccccc2c1-c1nccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PLAU P00749 2/20 0.41
CYP2A6 P11509 1/20 0.41
F12 P00748 1/20 0.41
NCF1 P14598 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
BACE1 P56817 1/20 0.41
GPR55 Q9Y2T6 1/20 0.39
PLG P00747 1/20 0.38
LMNA P02545 1/20 0.37
CFTR P13569 1/20 0.37

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
SCHEMBL29923403 0.74 PLAU (0.60) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL199273 0.74 PLAU (0.60) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL5877790 0.74 GPR3 (0.33) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL12112873 0.73 MAPT (0.58) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL2966653 0.73 KDM4E (0.35) MAPTKDM4EL3MBTL1CYP2A6ALDH1A1
SCHEMBL30522769 0.72 PLAU (0.58) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL21295673 0.71 KDM4E (0.45) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL50715 0.71 KDM4E (0.66) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL29398625 0.71 KDM4E (0.66) MAPTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL12223316 0.70 PLAU (0.56) MAPTKDM4ENPC1RAB9AL3MBTL1

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-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO disclosed