SCHEMBL21385095

SCHEMBL21385095

Brc1cccc(-c2ccc3ccnc4c3c2-c2ccccc2S4)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
TDO2 P48775 1/20 0.34
BIRC5 O15392 1/20 0.34
GRM5 P41594 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 3/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 1/20 0.32
MAPK10 P53779 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HK1 P19367 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
MAOA P21397 1/20 0.32
NPC1 O15118 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAOB P27338 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
TSHR P16473 2/20 0.31
MEN1 O00255 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
SCHEMBL21382875 0.82 L3MBTL1 (0.36) ALDH1A1MAPK10MAOAMEN1KMT2A
SCHEMBL21385276 0.81 BIRC5 (0.35) BIRC5GRM5ALDH1A1MAPTRAB9A
SCHEMBL21382847 0.80 LPL (0.35)
SCHEMBL21382879 0.79 ALDH1A1 (0.38) ALDH1A1MAPTHPGDALOX15MAPK10
SCHEMBL21383215 0.77 BIRC5 (0.34) IDO1TDO2BIRC5GRM5ALDH1A1
SCHEMBL21382715 0.73 MAOA (0.37) ALDH1A1HPGDHSD17B10MAOATSHR
SCHEMBL21385069 0.73 MAOA (0.37) ALDH1A1HPGDALOX15MAPK10HSD17B10
SCHEMBL22204606 0.72 TSHR (0.44) BIRC5ALDH1A1MAPTRAB9AHPGD
SCHEMBL21385289 0.71 TYMS (0.35) ALDH1A1MAPTALOX15MAPK10HSD17B10
SCHEMBL21385100 0.69 MAOA (0.34) MAOA

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