SCHEMBL11113642

SCHEMBL11113642

CC(C)CCCCCCCCCCCCCNc1ccc(O)c2c1C(=O)c1c(N)ccc(O)c1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.56
▸ CSNK2A2 P19784 2/20 0.49
▸ CSNK2B P67870 2/20 0.49
▸ CSNK2A1 P68400 2/20 0.49
▸ CSNK2A3 Q8NEV1 2/20 0.49
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ BLM P54132 4/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ USP2 O75604 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MTOR P42345 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NSD2 O96028 2/20 0.47

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
SCHEMBL10898406 0.86 CYP19A1 (0.59) CYP19A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL10899778 0.86 CYP19A1 (0.59) CYP19A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL14228462 0.85 CYP19A1 (0.61) CYP19A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL9280295 0.85 CYP19A1 (0.61) CYP19A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL8208241 0.83 CYP19A1 (0.62) CYP19A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL15703039 0.79 MEN1 (0.57) CYP19A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL13194388 0.79 MEN1 (0.57) CYP19A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL19745828 0.79 CSNK2A2 (0.61) CYP19A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL1323094 0.77 CYP19A1 (0.69) CYP19A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL21244324 0.77 CYP19A1 (0.61) CYP19A1CSNK2A2CSNK2BCSNK2A1CSNK2A3

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
EP-0103278-A2 Anthraquinone dyes and their use BASF Aktiengesellschaft (DE) 1984-03-21 — — EP disclosed
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