SCHEMBL23028873

SCHEMBL23028873

Clc1ccc2c(c1)Oc1cccc3c1C2(c1ccccc1)c1ccccc1-3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.40
PDK2 Q15119 3/20 0.38
MAPK1 P28482 1/20 0.37
AHR P35869 3/20 0.36
MAPT P10636 3/20 0.35
CYP2C19 P33261 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FTO Q9C0B1 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SMAD3 P84022 1/20 0.35
PRMT1 Q99873 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL23028783 0.90 MAP3K14 (0.44) MAP3K14PDK2MAPK1AHRMAPT
SCHEMBL23028879 0.89 MAPK1 (0.40) MAP3K14PDK2MAPK1AHRMAPT
SCHEMBL23028790 0.86 MAPK1 (0.35) PDK2MAPK1AHRMAPTMEN1
SCHEMBL23028724 0.85 SMN1; SMN2 (0.42) PDK2MAPK1AHRMAPTCYP2C19
SCHEMBL22933917 0.85 PDK2 (0.44) MAP3K14PDK2MAPK1AHRMAPT
SCHEMBL23697252 0.85 MAP3K14 (0.46) MAP3K14PDK2MAPK1AHRMAPT
SCHEMBL23028872 0.84 MEN1 (0.36) MAP3K14PDK2MAPK1AHRMAPT
SCHEMBL17816708 0.84 PDK2 (0.43) MAP3K14PDK2MAPK1AHRMAPT
SCHEMBL25865774 0.82 KDM4E (0.41) MAPK1AHRMAPTCYP2C19MEN1
SCHEMBL23208384 0.82 PDK2 (0.41) MAP3K14PDK2MAPK1AHRMAPT

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-2021034089-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-02-25 WO disclosed