SCHEMBL14769818

SCHEMBL14769818

Cc1ccc(N(c2ccc(C)cc2)c2c3nc(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc([nH]4)c(C#Cc4ccc(C(=O)O)cc4)c4nc(c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.47
▸ CYCS P99999 3/20 0.42
▸ RARB P10826 3/20 0.37
▸ RARG P13631 3/20 0.37
▸ RXRA P19793 2/20 0.35
▸ RXRB P28702 2/20 0.35
▸ RXRG P48443 1/20 0.35
▸ KIF11 P52732 1/20 0.33
▸ RARA P10276 2/20 0.32
▸ PTGES O14684 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ TERT O14746 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL14773226 0.92 TOP1 (0.44) TOP1CYCSRARBRARGRXRA
SCHEMBL18318902 0.89 TOP1 (0.42) TOP1CYCSRARBRARGRARA
SCHEMBL25393456 0.73 TOP1 (0.56) TOP1CYCSRARBRARGRARA
SCHEMBL12988416 0.71 STAT3 (0.46) TOP1CYCSTERT
SCHEMBL9976608 0.70 TOP1 (0.86) TOP1CYCSTERTABCG2
SCHEMBL1977052 0.70 TOP1 (0.86) TOP1CYCSTERTABCG2
SCHEMBL28152414 0.69 TOP1 (0.79) TOP1CYCSRARBRARGRXRA
SCHEMBL2064907 0.69 TERT (0.51) TOP1CYCSTERTABCG2
SCHEMBL16433683 0.68 TERT (0.46) TOP1CYCSRXRARXRBTERT
SCHEMBL28670658 0.66 STAT3 (0.51) TOP1CYCSTERTABCG2

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-20130061929-A1 PHOTOELECTRIC CONVERSION ELEMENT, METHOD FOR PRODUCING PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2013-03-14 — — US disclosed
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