SCHEMBL28619820

SCHEMBL28619820

CC(C)c1c(C(=O)O)cnc2c(-c3ccc(F)c(F)c3)c(N)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ GRIN2B Q13224 4/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ LMNA P02545 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KMO O15229 2/20 0.35
▸ USP7 Q93009 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ GRIN1 Q05586 3/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL28618955 0.89 AKR1C3 (0.37) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL20782378 0.89 MAPT (0.44) MAPTKDM4EALDH1A1AKR1C3AKR1C2
SCHEMBL20768139 0.88 KDM4E (0.39) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL19464265 0.86 KDM4E (0.49) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28620031 0.84 DCLRE1B (0.43) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28623625 0.81 MAPT (0.34) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28623585 0.80 DHODH (0.38) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL22280894 0.76 KDM4E (0.57) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL19492666 0.76 MAPT (0.38) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL19464076 0.76 ALDH1A1 (0.47) MAPTKDM4ENPC1RAB9ASMN1; SMN2

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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