SCHEMBL5322751

SCHEMBL5322751

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.71
▸ MEN1 O00255 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ KDM4E B2RXH2 3/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ HBB P68871 2/20 0.67
▸ CASP1 P29466 1/20 0.67
▸ CASP7 P55210 1/20 0.67
▸ TP53 P04637 2/20 0.64
▸ GLA P06280 2/20 0.64
▸ HPGD P15428 2/20 0.64
▸ STAT6 P42226 1/20 0.64
▸ CHEK1 O14757 1/20 0.64
▸ HDAC3 O15379 1/20 0.64
▸ ABCC4 O15439 1/20 0.64
▸ GMNN O75496 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64

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
SCHEMBL5323885 1.00 TOP1 (0.71) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5318924 1.00 TOP1 (0.71) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5321382 0.95 TOP1 (0.70) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5322850 0.90 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL7008598 0.90 TOP1 (0.75) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28295829 0.89 TOP1 (0.69) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28292759 0.88 TOP1 (0.76) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8187235 0.87 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4547376 0.87 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1030270 0.87 TOP1 (0.80) 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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