SCHEMBL21383215

SCHEMBL21383215

Brc1cccc(-c2cccc(-c3ccc(-c4ccc5cccc6c5c4-c4cccnc4S6)cc3)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TDP2 O95551 1/20 0.31
GRM5 P41594 1/20 0.31
TYMS P04818 1/20 0.31
POLB P06746 1/20 0.31
CYP19A1 P11511 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK10 P53779 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21385276 0.96 BIRC5 (0.35) BIRC5CYP1A2CYP2C19HTTCYP11B1
SCHEMBL21385289 0.89 TYMS (0.35) CYP1A2CYP2C19HTTTYMSPOLB
SCHEMBL21382886 0.81 LIPG (0.39)
SCHEMBL21385095 0.77 IDO1 (0.34) BIRC5HTTGRM5IDO1TDO2
SCHEMBL21385107 0.77 TYMS (0.39) CYP1A2CYP2C19HTTTYMSPOLB
SCHEMBL21382842 0.77 LPL (0.36)
SCHEMBL21382718 0.72 TYMS (0.42) BIRC5CYP1A2TDP2TYMSPOLB
SCHEMBL21385090 0.71 TYMS (0.44) BIRC5CYP1A2TDP2TYMSPOLB
SCHEMBL28877094 0.70 NPC1 (0.40) BIRC5HTTTDP2IDO1ALDH1A1
SCHEMBL17283732 0.70 TYMS (0.42) BIRC5CYP1A2TDP2TYMSPOLB

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-2019182360-A1 COMPOUND, ORGANIC LIGHT-EMITTING DEVICE AND DISPLAY DEVICE 에스케이머티리얼즈 주식회사 2019-09-26 WO disclosed