SCHEMBL23905739

SCHEMBL23905739

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.43
PTPN11 Q06124 1/20 0.42
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 2/20 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
SCHEMBL23905306 0.88 KDM4E (0.41) PTPN11LMNAALDH1A1L3MBTL1CA12
SCHEMBL23904832 0.84 HSD17B2 (0.48) HSD17B2PTPN11LMNAALDH1A1L3MBTL1
SCHEMBL23905738 0.82 HSD17B2 (0.46) HSD17B2PTPN11LMNAALDH1A1L3MBTL1
SCHEMBL23905741 0.82 HSD17B2 (0.46) HSD17B2PTPN11LMNAALDH1A1L3MBTL1
SCHEMBL23905740 0.81 HSD17B2 (0.45) HSD17B2PTPN11LMNAALDH1A1L3MBTL1
SCHEMBL18031365 0.79 HSD17B2 (0.48) HSD17B2PTPN11LMNAALDH1A1L3MBTL1
SCHEMBL23905296 0.77 KDM4E (0.42) PTPN11LMNAALDH1A1L3MBTL1CA12
SCHEMBL23905756 0.76 PTPN11 (0.40) HSD17B2PTPN11LMNAALDH1A1CA12
SCHEMBL10317975 0.75 HSD17B2 (0.58) HSD17B2LMNAALDH1A1CA12CA1
SCHEMBL25113827 0.74 HSD17B2 (0.48) HSD17B2LMNAALDH1A1L3MBTL1PDGFRB

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