SCHEMBL20529655

SCHEMBL20529655

N#Cc1ccc(C(C(N)=O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.45
OPRD1 P41143 1/20 0.44
EEF2K O00418 1/20 0.43
CTSD P07339 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6168003 0.85 TSHR (0.48) MEN1KMT2ATSHROPRD1EEF2K
SCHEMBL741751 0.82 MEN1 (0.58) MEN1KMT2ACTSDL3MBTL1LMNA
SCHEMBL9641199 0.82 TSHR (0.45) MEN1KMT2ATSHROPRD1EEF2K
Hydrochloric Acid SCHEMBL8550499 0.80 MEN1 (0.56) MEN1KMT2ACTSDL3MBTL1LMNA
SCHEMBL6167048 0.80 IRAK4 (0.40) MEN1KMT2APARP15PARP10PARP2
SCHEMBL11219485 0.79 GSK3B (0.47) TSHRL3MBTL1MAPTKDM4EGAA
SCHEMBL6163842 0.78 KMT2A (0.51) KMT2AEEF2KL3MBTL1ALDH1A1TDP1
SCHEMBL6429959 0.78 LMNA (0.64) TSHROPRD1EEF2KALDH1A1LMNA
SCHEMBL2926595 0.78 PARP15 (0.43) L3MBTL1MAPTPARP15PARP10PARP2
SCHEMBL2928841 0.78 PARP15 (0.43) L3MBTL1MAPTPARP15PARP10PARP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018187336-A1 HYDROGEN BOND DIRECTED PHOTOCATALYTIC HYDRODEFLUORINATION AND METHODS OF USE THEREOF THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2018-10-11 WO claimed
US-20200399196-A1 Hydrogen Bond Directed Photocatalytic Hydrodefluorination and Methods of Use Thereof UNIV OKLAHOMA STATE (US) 2020-12-24 US disclosed
WO-2018187336-A1 HYDROGEN BOND DIRECTED PHOTOCATALYTIC HYDRODEFLUORINATION AND METHODS OF USE THEREOF THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2018-10-11 WO disclosed