SCHEMBL19918477

SCHEMBL19918477

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6sc7ccccc7c6c5)cc4c4c5cccc6c5c(cc43)-c3ccccc3-6)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX5 P09917 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
SCHEMBL19918499 0.93 PIM3 (0.32) PIM3ALDH1A1HPGDTSHRMAPK1
SCHEMBL19918447 0.92
SCHEMBL19918502 0.91 PIM3 (0.33) PIM3
SCHEMBL19918441 0.91 PIM3 (0.31) PIM3
SCHEMBL19918449 0.91 PRKDC (0.31)
SCHEMBL19918504 0.91 PIM3 (0.34) PIM3
SCHEMBL19918451 0.89 ALDH1A1 (0.37) PIM3ALDH1A1HPGDMAPK1L3MBTL1
SCHEMBL19918506 0.89 PIM3 (0.34) PIM3
SCHEMBL19918450 0.88 ALDH1A1 (0.36) PIM3ALDH1A1HPGDMAPK1L3MBTL1
SCHEMBL19918446 0.86

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-2018038400-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME 주식회사 두산 2018-03-01 WO disclosed