SCHEMBL22425217

SCHEMBL22425217

c1ccc(-c2nc3ccccc3nc2-n2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc3c3ccc4ccccc4c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
NPY5R Q15761 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGES O14684 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31

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
SCHEMBL22425534 0.95 PIK3CA (0.33) HPGDPIK3CDPIK3CAMTORTUBB4A
SCHEMBL21168913 0.93 HPGD (0.35) HPGDCASP1HSD17B10HRH4GAA
SCHEMBL22425211 0.93 KDM4E (0.37) HPGDNPY5RCASP1HSD17B10HRH4
SCHEMBL22425531 0.91 ATM (0.35) GAAPTGESPIK3CDPIK3CAMTOR
SCHEMBL22425646 0.91 NPY5R (0.36) HPGDNPY5RCASP1HSD17B10HRH4
SCHEMBL22425224 0.91 KDM4E (0.38) HPGDNPY5RCASP1HSD17B10HRH4
SCHEMBL22425385 0.91 HSD17B10 (0.36) HPGDNPY5RCASP1HSD17B10HRH4
SCHEMBL22425463 0.90 HSD17B10 (0.36) HPGDCASP1HSD17B10HRH4GAA
SCHEMBL21168729 0.89 HPGD (0.35) HPGDCASP1HSD17B10HRH4GAA
SCHEMBL22425464 0.89 TUBB4A (0.35) HPGDPIK3CDPIK3CAMTORTUBB4A

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-2020185059-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2020-09-17 WO disclosed