SCHEMBL23028880

SCHEMBL23028880

Clc1ccc2c3c1Oc1ccccc1C3(c1ccccc1)c1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.44
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK2 Q15119 1/20 0.34
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
TYMS P04818 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
SCHEMBL23028871 0.84 AHR (0.49) AHRKDM4EMEN1LMNAMAPT
SCHEMBL23028763 0.84 AHR (0.51) AHRLMNA
SCHEMBL23008508 0.80 AHR (0.55) AHRKDM4EMEN1LMNAMAPT
SCHEMBL23028762 0.79 AHR (0.58) AHRLMNA
SCHEMBL23028876 0.77 AHR (0.37) AHRKDM4EMEN1LMNAMAPT
SCHEMBL23028843 0.77 PDK2 (0.35) AHRKDM4EKMT2ASMN1; SMN2PDK2
SCHEMBL23372300 0.75 AHR (0.47) AHRKDM4EMEN1LMNAMAPT
SCHEMBL20933259 0.75 AHR (0.49) AHRKDM4EMEN1LMNAMAPT
SCHEMBL23028724 0.75 SMN1; SMN2 (0.42) AHRKDM4EMEN1LMNAMAPT
SCHEMBL23028872 0.74 MEN1 (0.36) AHRKDM4EMEN1LMNAMAPT

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