SCHEMBL21382912

SCHEMBL21382912

Brc1ccc(-c2cnc3cccc4c3c2-c2ccccc2S4)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CDK2 P24941 2/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
LCK P06239 1/20 0.33
CDK1 P06493 1/20 0.33
CSF1R P07333 1/20 0.33
LYN P07948 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
MARK3 P27448 1/20 0.33
AKT1 P31749 1/20 0.33

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
SCHEMBL21382889 0.84 L3MBTL1 (0.41) AKT1AKT2ALDH1A1MEN1KMT2A
SCHEMBL21385059 0.83 CDK2 (0.33) CDK2PLK4AURKAJAK2LCK
SCHEMBL21383197 0.81 HPGD (0.34) HPGDCYP1A2
SCHEMBL21385114 0.78 LIPG (0.43) KDRDGAT1
SCHEMBL16558545 0.69 SLC6A3 (0.34) SMN1; SMN2NPC1RAB9ACDK2PLK4
SCHEMBL21382917 0.69 HPGD (0.33) HPGDALDH1A1CYP1B1
SCHEMBL29847628 0.69 KDM4E (0.47) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL21385330 0.68 MCL1 (0.36) SMN1; SMN2ALDH1A1MEN1KMT2ABIRC5
SCHEMBL21383183 0.67 LPL (0.30)
SCHEMBL28779634 0.66 NPC1 (0.51) SMN1; SMN2NPC1RAB9ANFKB1NFKB2

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