SCHEMBL20059987

SCHEMBL20059987

Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)C(C)(C)C)cc3)cc2)c2cccc(C(C)(C)C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
PTPN5 P54829 1/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
PTAFR P25105 1/20 0.30

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
SCHEMBL18799200 0.96 TSHR (0.38) KIF11MAPTALDH1A1TSHRHDAC8
SCHEMBL18799181 0.92 KIF11 (0.35) KIF11RXRARXRBMAPTALDH1A1
SCHEMBL18799179 0.91 RXRA (0.41) KIF11RXRARXRBMAPTALDH1A1
SCHEMBL18799109 0.90 RXRA (0.43) KIF11RXRARXRBMAPTALDH1A1
SCHEMBL21391889 0.88 TSHR (0.45) KIF11RXRARXRBMAPTALDH1A1
SCHEMBL19389278 0.88 HSD17B1 (0.38) MAPTALDH1A1TSHRHDAC8
SCHEMBL18799106 0.86 CYP2D6 (0.39) KIF11RXRARXRBMAPTALDH1A1
SCHEMBL18799164 0.85 LTB4R2 (0.40) KIF11RXRARXRBTSHRHDAC8
SCHEMBL20059363 0.85 TSHR (0.52) KIF11MAPTALDH1A1TSHRHDAC8
SCHEMBL12000709 0.83 KIF11 (0.53) KIF11RXRARXRBMAPTALDH1A1

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-2728639-B1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ITS MANUFACTURING METHOD KONICA MINOLTA INC (JP) 2018-04-18 EP disclosed