SCHEMBL23905740

SCHEMBL23905740

CCOC(=O)c1cc(OC)c2nc(CF)c(F)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.45
PTPN11 Q06124 1/20 0.44
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL23905741 0.91 HSD17B2 (0.46) HSD17B2PTPN11TSHRHPGDCA12
SCHEMBL23904832 0.86 HSD17B2 (0.48) HSD17B2PTPN11TSHRHPGDCA12
SCHEMBL23905738 0.84 HSD17B2 (0.46) HSD17B2PTPN11TSHRHPGDCA12
SCHEMBL23905739 0.81 HSD17B2 (0.43) HSD17B2PTPN11TSHRHPGDCA12
SCHEMBL23904780 0.80 KDM4E (0.43) PTPN11TSHRCA12CA1CA2
SCHEMBL23905882 0.78 HSD17B2 (0.45) HSD17B2PTPN11TSHRHPGDCA12
SCHEMBL25113827 0.76 HSD17B2 (0.48) HSD17B2TSHRHPGDCA12CA1
SCHEMBL23904820 0.76 PTGS2 (0.46) TSHRCA12CA1CA2CA7
SCHEMBL23905400 0.74 HSD17B2 (0.49) HSD17B2TSHRHPGDCA12CA1
SCHEMBL18031363 0.73 HSD17B2 (0.51) HSD17B2PTPN11CA12CA1CA2

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