SCHEMBL21385331

SCHEMBL21385331

Brc1cccc(-c2cccc(-c3ccc4c(c3)Oc3ccnc5cccc-4c35)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.41
IDO1 P14902 2/20 0.36
TDO2 P48775 1/20 0.36
EGFR P00533 1/20 0.35
TGFBR1 P36897 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 1/20 0.35
GRM5 P41594 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAOB P27338 1/20 0.33
GABRA1 P14867 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
SCHEMBL21385121 0.90 MAPK1 (0.36) BIRC5EGFRKDM4EMAPK1ATM
SCHEMBL21382855 0.87 AHR (0.42) BIRC5EGFRKDM4EMAPK1ATM
SCHEMBL21382887 0.80 LIPG (0.39) EGFR
SCHEMBL23587905 0.75 KDM4E (0.31) KDM4EMAPK1ATMNPC1RAB9A
SCHEMBL23587864 0.75 KDM4E (0.31) KDM4EMAPK1ATM
SCHEMBL17283705 0.70 MAPK1 (0.56) KDM4EMAPK1ATMTP53TSHR
SCHEMBL17283714 0.69 KDM4E (0.54) BIRC5KDM4EMAPK1ATMNPC1
SCHEMBL17283782 0.69 MAPK1 (0.57) KDM4EMAPK1ATMNPC1RAB9A
SCHEMBL21382869 0.68 LIPG (0.38) IDO1TDO2EGFRKDM4EMAPK1
SCHEMBL17489979 0.68 ATM (0.46) KDM4EMAPK1ATMNPC1RAB9A

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