SCHEMBL28624802

SCHEMBL28624802

CC(C)c1c(C(=O)O)cnc2c(-c3cccc(Cl)c3)c(N=C(c3ccccc3)c3ccccc3)nn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PPARA Q07869 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ XPO1 O14980 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ LDHA P00338 1/20 0.34
▸ LDHB P07195 1/20 0.34
▸ DCLRE1B Q9H816 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL28623625 0.87 MAPT (0.34) KMT2AMAPTMEN1HPGDNPC1
SCHEMBL19464071 0.83 PPARA (0.39) KMT2AMAPTMEN1GAAHPGD
SCHEMBL28620031 0.83 DCLRE1B (0.43) KMT2AMAPTMEN1GAAHPGD
SCHEMBL28621763 0.83 CSNK1D (0.39) KMT2AMAPTMEN1GAAHPGD
SCHEMBL28615710 0.81 BRS3 (0.35) KMT2AMAPTMEN1HPGDNPC1
SCHEMBL20768115 0.71 MAPT (0.50) KMT2AMAPTMEN1HPGDNPC1
SCHEMBL20768139 0.71 KDM4E (0.39) MAPTHPGDNPC1RAB9AKMO
SCHEMBL20768147 0.70 MAPT (0.56) KMT2AMAPTMEN1HPGDNPC1
SCHEMBL19464050 0.70 MAPT (0.49) KMT2AMAPTMEN1HPGDNPC1
SCHEMBL20782378 0.68 MAPT (0.44) MAPTHPGD

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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