SCHEMBL13845779

SCHEMBL13845779

CCOC(=O)c1nc(NC(=O)c2ncccc2C)cn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.48
BRD4 O60885 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.39
HPGD P15428 1/20 0.38
KIT P10721 1/20 0.38
ADORA2A P29274 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
SCHEMBL4274506 0.85 KIT (0.43) ALDH1A1NPC1RAB9AKDM4EHTT
SCHEMBL10143997 0.80 SMN1; SMN2 (0.53) RPS6KA3ALDH1A1MEN1KMT2ANPC1
SCHEMBL14072168 0.79 RPS6KA3 (0.48) RPS6KA3ALDH1A1MEN1KMT2ANPC1
SCHEMBL13845690 0.78 RPS6KA3 (0.50) RPS6KA3ALDH1A1KMT2ANPC1RAB9A
SCHEMBL3985808 0.76 RAB9A (0.57) RPS6KA3ALDH1A1MEN1KMT2ANPC1
SCHEMBL14072191 0.75 RPS6KA3 (0.47) RPS6KA3ALDH1A1MEN1KMT2ANPC1
SCHEMBL14543365 0.74 RPS6KA3 (0.51) RPS6KA3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23745118 0.74 RPS6KA3 (0.43) RPS6KA3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL108857 0.73 BRD4 (0.63) BRD4KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13845752 0.73 RPS6KA3 (0.46) RPS6KA3ALDH1A1MEN1KMT2ANPC1

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
WO-2009060215-A1 POLYAMIDES SPIROGEN LIMITED (GB) 2009-05-14 WO disclosed