SCHEMBL17412397

SCHEMBL17412397

Clc1cc(-c2ccccc2-c2ccccc2)nc(-c2cccc3ccccc23)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ATM Q13315 2/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL29750648 0.91 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL17412427 0.91 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL17412408 0.89 HSP90AA1 (0.49) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL24211950 0.88 KDM4E (0.49) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL21701674 0.88 LMNA (0.51) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL30601310 0.87 HSP90AA1 (0.49) KDM4EALDH1A1MAPTHPGDTP53
SCHEMBL26626348 0.87 HSP90AA1 (0.49) KDM4EALDH1A1MAPTHPGDTP53
SCHEMBL17412419 0.84 HSP90AA1 (0.46) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL30582646 0.84 LMNA (0.58) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL25540965 0.84 LMNA (0.58) KDM4EALDH1A1MAPTHPGDSMN1; SMN2

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-2016003225-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-01-07 WO disclosed