SCHEMBL19879796

SCHEMBL19879796

CC(C)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccc(C(C)(C)C)cc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.46
▸ CYCS P99999 3/20 0.45
▸ TERT O14746 3/20 0.44
▸ STAT3 P40763 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ ENPP2 Q13822 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ MAPK13 O15264 1/20 0.40
▸ MAPK12 P53778 1/20 0.40
▸ MAPK11 Q15759 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ PDE2A O00408 1/20 0.38

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
SCHEMBL25703952 1.00 TOP1 (0.46) TOP1CYCSTERTSTAT3STAT1
SCHEMBL25705248 0.91 TOP1 (0.45) TOP1CYCSTERTSTAT3STAT1
SCHEMBL25703764 0.91 TOP1 (0.54) TOP1CYCSTERTSTAT3STAT1
SCHEMBL16978922 0.91 TOP1 (0.54) TOP1CYCSTERTSTAT3STAT1
SCHEMBL21577747 0.91 TOP1 (0.54) TOP1CYCSTERTSTAT3STAT1
SCHEMBL16978932 0.91 TOP1 (0.54) TOP1CYCSTERTSTAT3STAT1
SCHEMBL19879780 0.90 TERT (0.45) TOP1CYCSTERTENPP2HDAC6
SCHEMBL1971674 0.85 TERT (0.57) TOP1CYCSTERTENPP2HDAC6
SCHEMBL30774963 0.85 TERT (0.57) TOP1CYCSTERTENPP2HDAC6
SCHEMBL9429390 0.85 TERT (0.57) TOP1CYCSTERTENPP2ABCG2

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
US-9896461-B2 Polysilylated organosilane compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2018-02-20 — — US disclosed
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