SCHEMBL23028879

SCHEMBL23028879

Clc1ccc2c(c1)C1(c3ccccc3)c3ccccc3-c3cccc(c31)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
PDK2 Q15119 2/20 0.38
AHR P35869 3/20 0.36
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAP3K14 Q99558 1/20 0.35
HRH1 P35367 3/20 0.34
HTR2A P28223 2/20 0.34
DRD2 P14416 3/20 0.33
DRD4 P21917 3/20 0.33
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
HRH4 Q9H3N8 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
SCHEMBL23028786 0.90 AHR (0.41) MAPK1PDK2AHRMEN1KMT2A
SCHEMBL23028873 0.89 MAP3K14 (0.40) MAPK1PDK2AHRAKR1A1AKR1B1
SCHEMBL23028790 0.86 MAPK1 (0.35) MAPK1PDK2AHRKDM4EMEN1
SCHEMBL23028724 0.85 SMN1; SMN2 (0.42) MAPK1PDK2AHRKDM4EMEN1
SCHEMBL31753805 0.85 MAPK1 (0.45) MAPK1PDK2AHRAKR1A1AKR1B1
SCHEMBL22891353 0.85 MAPK1 (0.45) MAPK1PDK2AHRAKR1A1AKR1B1
SCHEMBL17816867 0.84 MAPK1 (0.44) MAPK1PDK2AHRAKR1A1AKR1B1
SCHEMBL25865774 0.82 KDM4E (0.41) MAPK1AHRKDM4EMEN1LMNA
SCHEMBL23028872 0.82 MEN1 (0.36) MAPK1PDK2AHRKDM4EMEN1
SCHEMBL24028013 0.81 MAPK1 (0.38) MAPK1PDK2AHRAKR1A1AKR1B1

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