SCHEMBL3799864

SCHEMBL3799864

Pc1ncc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ADORA1 P30542 3/20 0.39
ADORA2A P29274 2/20 0.39
USP7 Q93009 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TDO2 P48775 2/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL9756187 0.82 NPC1 (0.38) NPC1RAB9AMEN1KMT2AADORA1
SCHEMBL10205854 0.79 MEN1 (0.50) NPC1RAB9AMEN1KMT2AADORA1
SCHEMBL1821593 0.78 ADORA1 (0.44) NPC1RAB9AMEN1KMT2AADORA1
SCHEMBL9756200 0.78 USP7 (0.48) NPC1RAB9AMEN1KMT2AADORA1
SCHEMBL9756279 0.78 PDE4B (0.47) NPC1RAB9AMEN1KMT2AADORA1
SCHEMBL4327679 0.77 NPC1 (0.40) NPC1RAB9AMEN1KMT2AADORA1
SCHEMBL441227 0.75 LRRK2 (0.42) NPC1RAB9AMEN1KMT2AADORA2A
SCHEMBL8095477 0.75 MAPK1 (0.41) NPC1RAB9AMEN1KMT2AADORA1
SCHEMBL14030752 0.71 NR1H2 (0.42) NPC1RAB9AMEN1KMT2AADORA1
SCHEMBL9756304 0.71 MAPT (0.45) NPC1RAB9AMEN1KMT2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662313-B2 For use as semiconductors for nanoscale electronics, optoelectronic applications in emissive devices NANOSYS, INC. (US) 2010-02-16 US disclosed
US-20040146560-A1 For use as semiconductors for nanoscale electronics, optoelectronic applications in emissive devices NANOSYS, INC. 2004-07-29 US disclosed
WO-2004027822-A2 ORIENTED NANOSTRUCTURES AND METHODS OF PREPARING NANOSYS, INC. (US) 2004-04-01 WO disclosed