SCHEMBL21385289

SCHEMBL21385289

Brc1ccc(-c2ccc3cccc4c3c2-c2cccnc2S4)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.35
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX15 P16050 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK10 P53779 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
JAK2 O60674 1/20 0.32
LCK P06239 1/20 0.32
CDK1 P06493 1/20 0.32
CSF1R P07333 1/20 0.32
LYN P07948 1/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL21383215 0.89 BIRC5 (0.34) TYMSHTTCYP1A2CYP2C19ALOX15
SCHEMBL21385276 0.86 BIRC5 (0.35) TYMSHTTCYP1A2CYP2C19ALOX15
SCHEMBL21385107 0.83 TYMS (0.39) TYMSHTTCYP1A2CYP2C19ALOX15
SCHEMBL21382886 0.77 LIPG (0.39)
SCHEMBL21382842 0.74 LPL (0.36)
SCHEMBL16618621 0.71 KDM4E (0.52) HTTCYP1A2CYP2C19ALOX15ALDH1A1
SCHEMBL30094302 0.71 KDM4E (0.52) HTTCYP1A2CYP2C19ALOX15ALDH1A1
SCHEMBL21385095 0.71 IDO1 (0.34) HTTALOX15ALDH1A1MAPK10HSD17B10
SCHEMBL27905450 0.70 ALDH1A1 (0.47) CYP1A2ALDH1A1HSD17B10PLK4AURKA
SCHEMBL21385059 0.69 CDK2 (0.33) PLK4AURKAJAK2LCKCDK1

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