SCHEMBL23028871

SCHEMBL23028871

Clc1cccc2c1Oc1cccc3c1C2(c1ccccc1)c1ccccc1-3

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.49
PDK2 Q15119 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CFTR P13569 1/20 0.32
GOPC Q9HD26 1/20 0.32
CYP2A6 P11509 1/20 0.31
KIF11 P52732 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL23028762 0.86 AHR (0.58) AHRLMNA
SCHEMBL23008508 0.84 AHR (0.55) AHRPDK2MEN1KMT2ALMNA
SCHEMBL23028880 0.84 AHR (0.44) AHRPDK2MEN1KMT2ALMNA
SCHEMBL20933259 0.79 AHR (0.49) AHRPDK2MEN1KMT2ALMNA
SCHEMBL21881119 0.77 PDK2 (0.50) PDK2MEN1KMT2ALMNAKDM4E
SCHEMBL23028879 0.77 MAPK1 (0.40) AHRPDK2MEN1KMT2ALMNA
SCHEMBL23028873 0.77 MAP3K14 (0.40) AHRPDK2MEN1KMT2ALMNA
SCHEMBL23028724 0.76 SMN1; SMN2 (0.42) AHRPDK2MEN1KMT2ALMNA
SCHEMBL23028763 0.76 AHR (0.51) AHRLMNA
SCHEMBL20933688 0.75 AHR (0.47) AHRPDK2MEN1KMT2ALMNA

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