SCHEMBL4745308

SCHEMBL4745308

Cc1cc(O)c2cc(Nc3ccccc3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
CASP7 P55210 1/20 0.49
CASP6 P55212 1/20 0.49
PTPN11 Q06124 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
GUSB P08236 1/20 0.47
TERT O14746 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
KDM1A O60341 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DOT1L Q8TEK3 2/20 0.46

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
SCHEMBL4748569 0.81 LMNA (0.58) L3MBTL1MAPTNPC1GUSBTERT
SCHEMBL27890181 0.81 TERT (0.69) TERTMEN1KMT2ADOT1LMMP1
SCHEMBL3648167 0.79 NPC1 (0.67) L3MBTL1MAPTNPC1MEN1KMT2A
SCHEMBL3651398 0.77 MEN1 (0.57) L3MBTL1MAPTNPC1MEN1KMT2A
SCHEMBL266459 0.76 CYP1A2 (0.64) L3MBTL1MAPTMEN1KMT2AKDM4E
SCHEMBL30199873 0.76 CYP1A2 (0.64) L3MBTL1MAPTMEN1KMT2AKDM4E
SCHEMBL10939039 0.76 KDM1A (0.70) CASP6L3MBTL1MAPTNPC1TERT
SCHEMBL3760247 0.74 LMNA (0.61) L3MBTL1MAPTMEN1KMT2AKDM4E
SCHEMBL29210682 0.74 CDK2 (0.47) L3MBTL1MAPTNPC1MEN1KMT2A
SCHEMBL13962832 0.73 NSD2 (0.50) NSD2DUSP3PTPN5CASP7CASP6

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-2008117079-A1 ANTIMICROBIAL COMPOUNDS BASED UPON 4-AMINOQUINOLINE HELPERBY THERAPEUTICS LIMITED (GB) 2008-10-02 WO disclosed