SCHEMBL28707992

SCHEMBL28707992

NC(=O)OC(CF)Cc1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.56
MPO P05164 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
HIF1A Q16665 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 2/20 0.52
APAF1 O14727 1/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTR2A P28223 2/20 0.50
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
SLC6A2 P23975 1/20 0.50

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
SCHEMBL28707990 1.00 MAPT (0.56) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL28561983 0.88 MAPT (0.57) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL28561984 0.88 MAPT (0.57) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL29199765 0.86 KDM4E (0.58) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL29199770 0.86 KDM4E (0.58) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL27484962 0.82 MAPT (0.59) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL27484963 0.82 MAPT (0.59) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL28548649 0.81 KDM4E (0.62) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL28548648 0.81 KDM4E (0.62) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL28553170 0.79 KDM4E (0.59) MAPTKDM4EMEN1KMT2ALMNA

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
CN-108299420-B Pentacyclic compounds as selective estrogen receptor down-regulators and uses thereof 南京圣和药业股份有限公司 2021-10-15 CN disclosed