SCHEMBL28629447

SCHEMBL28629447

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.38
▸ BRS3 P32247 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ IDO1 P14902 5/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ SRC P12931 1/20 0.32

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
SCHEMBL28623585 0.89 DHODH (0.38) DHODHBRS3ALDH1A1KDM4EHPGD
SCHEMBL19463318 0.88 DHODH (0.37) DHODHBRS3ALDH1A1KDM4EHPGD
SCHEMBL28615710 0.83 BRS3 (0.35) DHODHBRS3ALDH1A1KDM4EHPGD
SCHEMBL24455511 0.80 MAPT (0.42) DHODHALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28618955 0.80 AKR1C3 (0.37) DHODHALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28621763 0.77 CSNK1D (0.39) DHODHALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19463668 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10CSNK1D
SCHEMBL20768145 0.72 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10CSNK1D
SCHEMBL30439174 0.72 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10CSNK1D
SCHEMBL20782378 0.71 MAPT (0.44) ALDH1A1KDM4EHPGDPOLBMAPT

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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