SCHEMBL28621763

SCHEMBL28621763

CC(C)c1c(C(=O)O)cnc2c(-c3cccc(Cl)c3)c(O)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PPARA Q07869 1/20 0.38
▸ DCLRE1B Q9H816 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMO O15229 2/20 0.36
▸ FYN P06241 1/20 0.36
▸ DHODH Q02127 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
SCHEMBL19464071 0.90 PPARA (0.39) CSNK1DMAP4K4PPARADCLRE1BMAPT
SCHEMBL28620031 0.89 DCLRE1B (0.43) CSNK1DMAP4K4PPARADCLRE1BMAPT
SCHEMBL19464050 0.86 MAPT (0.49) CSNK1DMAPTKMT2AMEN1HPGD
SCHEMBL28618955 0.84 AKR1C3 (0.37) CSNK1DMAPTKMT2AMEN1HPGD
SCHEMBL28624802 0.83 KMT2A (0.37) CSNK1DMAP4K4PPARADCLRE1BMAPT
SCHEMBL20768115 0.77 MAPT (0.50) CSNK1DMAPTKMT2AMEN1HPGD
SCHEMBL20768139 0.77 KDM4E (0.39) MAPTHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL28629447 0.77 DHODH (0.38) CSNK1DMAPTKMT2AMEN1HPGD
SCHEMBL20768147 0.76 MAPT (0.56) CSNK1DMAPTKMT2AMEN1HPGD
SCHEMBL20782378 0.73 MAPT (0.44) MAPTHPGDKDM4ELMNATP53

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-109071545-B Novel pyrazolopyrimidine derivatives 拜耳动物保健有限责任公司 2021-08-03 — — CN disclosed
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