SCHEMBL24914217

SCHEMBL24914217

N=C(/N=C(\N)c1ccc2ccccc2c1-c1ccc(-c2ccccc2N)cc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
WDR5 P61964 1/20 0.35
F2 P00734 2/20 0.33
PLG P00747 2/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
KLK1 P06870 1/20 0.33
PRSS1 P07477 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
SOS1 Q07889 1/20 0.31
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
KEAP1 Q14145 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL23654660 0.84 ESR2 (0.39) WDR5
SCHEMBL20407045 0.82 ESR1 (0.36) WDR5F2PLGPLAUKLK1
SCHEMBL20407141 0.80 PDK2 (0.33)
SCHEMBL20405505 0.79 PDK2 (0.32) WDR5F2PLGMCL1ACMSD
SCHEMBL20405513 0.79 KDM4E (0.30)
SCHEMBL20407090 0.76 SLC22A12 (0.40) ALDH1A1HSD17B10PLGPLAUPRSS1
SCHEMBL23654538 0.76
SCHEMBL20405212 0.76 F2 (0.32) WDR5F2PRSS1
SCHEMBL24034388 0.75 HDAC8 (0.48) WDR5F2PLGSIGMAR1MCL1
SCHEMBL23655147 0.74 PDK2 (0.34)

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
EP-3351537-B1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2023-01-18 EP disclosed