SCHEMBL28615710

SCHEMBL28615710

CC(C)c1c(C(=O)O)cnc2c(-c3cccc(F)c3F)c(N=C(c3ccccc3)c3ccccc3)nn12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRS3 P32247 2/20 0.35
▸ DHODH Q02127 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ IDO1 P14902 2/20 0.31
▸ MAPT P10636 1/20 0.30
▸ KIF11 P52732 1/20 0.30
▸ CHRM4 P08173 1/20 0.30

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 0.84 MAPT (0.34) DHODHALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28629447 0.83 DHODH (0.38) BRS3DHODHALDH1A1KDM4EHPGD
SCHEMBL28623585 0.83 DHODH (0.38) BRS3DHODHALDH1A1KDM4EHPGD
SCHEMBL19463318 0.82 DHODH (0.37) BRS3DHODHALDH1A1KDM4EHPGD
SCHEMBL28624802 0.81 KMT2A (0.37) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL24455511 0.75 MAPT (0.42) DHODHALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30439174 0.67 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL20768145 0.67 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL20782378 0.66 MAPT (0.44) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL28619820 0.66 MAPT (0.38) DHODHALDH1A1KDM4EHPGDHSD17B10

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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