SCHEMBL23905306

SCHEMBL23905306

C=Cc1nc2c(OC)cc(C(=O)OC)cc2cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
PTPN11 Q06124 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KMT2A Q03164 3/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
XDH P47989 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FUT7 Q11130 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL23905296 0.88 KDM4E (0.42) KDM4EALDH1A1PTPN11CYP3A4MAPT
SCHEMBL23905739 0.88 HSD17B2 (0.43) KDM4EALDH1A1PTPN11MAPTL3MBTL1
SCHEMBL23905305 0.80 KDM4E (0.44) KDM4EALDH1A1PTPN11CYP3A4MAPT
SCHEMBL23905313 0.80 ALDH1A1 (0.41) KDM4EALDH1A1PTPN11CYP3A4MAPT
SCHEMBL23904780 0.79 KDM4E (0.43) KDM4EALDH1A1PTPN11CYP3A4MAPT
SCHEMBL23905320 0.77 ALDH1A1 (0.38) KDM4EALDH1A1PTPN11CYP3A4MAPT
SCHEMBL23958606 0.76 KDM4E (0.45) KDM4EALDH1A1PTPN11CYP3A4MAPT
SCHEMBL23929995 0.75 HPGDS (0.42) KDM4EALDH1A1PTPN11CYP3A4MAPT
SCHEMBL31323187 0.75 KDM4E (0.44) KDM4EALDH1A1PTPN11CYP3A4MAPT
SCHEMBL23904747 0.74 KDM4E (0.50) KDM4EALDH1A1PTPN11CYP3A4MAPT

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed