SCHEMBL23905883

SCHEMBL23905883

CCOC(=O)c1cc(OC)c2ncc(C=O)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
MAOB P27338 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
DPP4 P27487 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 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
SCHEMBL23930160 0.88 PSMD14 (0.44) CYP2C19CYP2C9KDM4EALDH1A1MEN1
SCHEMBL23905309 0.86 CYP2C9 (0.39) HSD17B2PDGFRBPDGFRAMAOBCYP2C19
SCHEMBL23905400 0.86 HSD17B2 (0.49) HSD17B2PDGFRBPDGFRAMAOBCYP2C19
SCHEMBL23905399 0.84 HSD17B2 (0.47) HSD17B2PDGFRBPDGFRAMAOBCYP2C19
SCHEMBL23904824 0.84 HSD17B2 (0.47) HSD17B2PDGFRBPDGFRAMAOBCYP2C19
SCHEMBL23905355 0.84 HSD17B2 (0.47) HSD17B2PDGFRBPDGFRAMAOBCYP2C19
SCHEMBL23904823 0.84 HSD17B2 (0.47) HSD17B2PDGFRBPDGFRAMAOBCYP2C19
SCHEMBL23905885 0.82 HSD17B2 (0.46) HSD17B2PDGFRBPDGFRAMAOBCYP2C19
SCHEMBL23905882 0.81 HSD17B2 (0.45) HSD17B2PDGFRBPDGFRAMAOBCYP2C19
SCHEMBL25114964 0.81 MAOB (0.45) HSD17B2PDGFRBPDGFRAMAOBKDM4E

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