SCHEMBL4302547

SCHEMBL4302547

CC(C)Nc1cnccc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC1 P19801 2/20 0.53
▸ AOC3 Q16853 2/20 0.53
▸ KDM4C Q9H3R0 11/20 0.52
▸ TDP1 Q9NUW8 2/20 0.50
▸ SIRT3 Q9NTG7 1/20 0.50
▸ KDM6B O15054 5/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HIPK2 Q9H2X6 1/20 0.41
▸ KDM4A O75164 2/20 0.41
▸ KDM4D Q6B0I6 2/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL30545160 0.87 SIRT3 (0.54) AOC1AOC3KDM4CTDP1SIRT3
SCHEMBL15110277 0.87 SIRT3 (0.54) AOC1AOC3KDM4CTDP1SIRT3
Hydrochloric Acid SCHEMBL28283002 0.85 SIRT3 (0.53) AOC1AOC3KDM4CTDP1SIRT3
SCHEMBL15286961 0.85 KDM4C (0.70) AOC1AOC3KDM4CKDM6BKDM4E
SCHEMBL17723987 0.81 KDM4C (0.71) AOC1AOC3KDM4CTDP1SIRT3
SCHEMBL18421265 0.75 KDM4C (0.51) KDM4CTDP1SIRT3KDM6BIRAK4
SCHEMBL9215519 0.75 TDP1 (0.53) KDM4CTDP1SIRT3KDM6BKDM4E
SCHEMBL9210426 0.75 TDP1 (0.53) KDM4CTDP1SIRT3KDM6BKDM4E
SCHEMBL2104582 0.75 KDM4E (0.50) IRAK4KDM4EALDH1A1MEN1MAPT
SCHEMBL21543646 0.75 JAK1 (0.49) KDM4CTDP1SIRT3KDM6BIRAK4

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
WO-2009130015-A1 IMPROVED RAF INHIBITORS GPC BIOTECH AG (DE) 2009-10-29 — — WO disclosed
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