SCHEMBL5322850

SCHEMBL5322850

CCCCCCCCCC(=O)Oc1ccc2nc3c(cc2c1)Cn1c-3cc2c(c1=O)COC(=O)[C@]2(O)CC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 15/20 0.73
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ KDM4E B2RXH2 3/20 0.69
▸ ALDH1A1 P00352 3/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ HBB P68871 2/20 0.69
▸ CASP1 P29466 1/20 0.69
▸ CASP7 P55210 1/20 0.69
▸ HDAC3 O15379 4/20 0.66
▸ HDAC4 P56524 4/20 0.66
▸ HDAC1 Q13547 4/20 0.66
▸ HDAC7 Q8WUI4 4/20 0.66
▸ HDAC2 Q92769 4/20 0.66
▸ HDAC10 Q969S8 4/20 0.66
▸ HDAC11 Q96DB2 4/20 0.66
▸ HDAC8 Q9BY41 4/20 0.66
▸ HDAC6 Q9UBN7 4/20 0.66
▸ HDAC9 Q9UKV0 4/20 0.66

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
SCHEMBL28292759 0.98 TOP1 (0.76) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28117060 0.95 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28445420 0.95 TOP1 (0.68) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28291366 0.94 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8506572 0.91 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5322751 0.90 TOP1 (0.71) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5323885 0.90 TOP1 (0.71) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5318924 0.90 TOP1 (0.71) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL7008598 0.90 TOP1 (0.75) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29229512 0.89 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007095389-A2 TREATMENT OF HYPERPROLIFERATIVE DISEASES WITH CAMPTOTHECINE N-OXIDE AND ANALOGS NOVACEA, INC. (US) 2007-08-23 — — WO claimed
WO-2007095389-A2 TREATMENT OF HYPERPROLIFERATIVE DISEASES WITH CAMPTOTHECINE N-OXIDE AND ANALOGS NOVACEA, INC. (US) 2007-08-23 — — WO disclosed
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