SCHEMBL17546359

SCHEMBL17546359

Cc1ccc(Nc2ccc(CC(=O)ON3C(=O)CCC3=O)cc2)c2nonc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MYC P01106 7/20 0.38
MAX P61244 3/20 0.38
MAPT P10636 2/20 0.37
OPRK1 P41145 1/20 0.37
PSMD14 O00487 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33

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
SCHEMBL839031 0.86 MYC (0.57) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL16587307 0.73 IDO1 (0.50) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL499428 0.72 KMT2A (0.46) KMT2ASMN1; SMN2
SCHEMBL15896085 0.71 KMT2A (0.44) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL31225625 0.71 KMT2A (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL16139723 0.71 MYC (0.68) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL6026745 0.70 RAB9A (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL17356716 0.69 KMT2A (0.41) KMT2AMAPTSMN1; SMN2
SCHEMBL31226220 0.68 SMN1; SMN2 (0.50) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12900559 0.67 GSTM2 (0.51) IDO1MEN1KMT2ANPC1RAB9A

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-9274008-B2 Nanothermometer, methods and uses therefor WASHINGTON UNIVERSITY (US) 2016-03-01 US disclosed