SCHEMBL16587307

SCHEMBL16587307

CCc1ccc(Nc2ccc(C)c3nonc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.50
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MYC P01106 5/20 0.43
MAPT P10636 4/20 0.41
MAX P61244 2/20 0.41
PSMD14 O00487 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
OPRK1 P41145 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL409789 0.81 IDO1 (0.74) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL16139723 0.77 MYC (0.68) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL17546359 0.73 IDO1 (0.40) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL15934061 0.71 MEN1 (0.47) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL15966206 0.71 EPAS1 (0.54) IDO1MEN1KMT2AMYCMAPK1
SCHEMBL27580181 0.70 EGFR (0.56) KMT2ANPC1RAB9AMAPT
SCHEMBL10338230 0.70 GAA (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL679008 0.70 MEN1 (0.41) IDO1MEN1KMT2AMAPTMAPK1
SCHEMBL49571 0.68 RAB9A (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL15257089 0.68 ELANE (0.37) IDO1MEN1KMT2ANPC1MAPT

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
US-8986650-B2 Complex folate-NOTA-Ga68 GUERBET (FR) 2015-03-24 US disclosed