SCHEMBL23637433

SCHEMBL23637433

Clc1ccc(-c2cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc3oc4ccccc4c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.38
AHR P35869 3/20 0.38
RET P07949 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PDK2 Q15119 1/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
WEE1 P30291 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL23637427 0.86 NPC1 (0.36) NPC1RAB9A
SCHEMBL23637442 0.85 AHR (0.40) AHRLMNAMAPTMEN1KMT2A
SCHEMBL30818159 0.82 TNKS (0.36) TNKSAHRRETCA1CA2
SCHEMBL23637451 0.79 AHR (0.42) TNKSAHRPDK2LMNAMAPT
SCHEMBL24279298 0.77 AHR (0.43) TNKSAHRPDK2LMNAMAPT
SCHEMBL27278376 0.77 MAPT (0.32) PDK2LMNAMAPTMEN1KMT2A
SCHEMBL26574532 0.77 AHR (0.35) TNKSAHRCA1CA2PDK2
SCHEMBL23096355 0.76 KDM4E (0.31) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL27278503 0.76 PDK2 (0.32) PDK2LMNAMAPTMEN1KMT2A
SCHEMBL20348989 0.76 MAPT (0.35) TNKSLMNAMAPTMEN1KMT2A

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-2021141356-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-07-15 WO disclosed