SCHEMBL17851027

SCHEMBL17851027

CC1(C)c2ccccc2N(c2ccc(-c3ccc(-c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)c(C=N)c3C=N)cc2)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.34
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 6/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 2/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 6/20 0.31
MEN1 O00255 5/20 0.31
GAA P10253 4/20 0.31
NPSR1 Q6W5P4 2/20 0.30
USP2 O75604 1/20 0.30
THRB P10828 2/20 0.30
RECQL P46063 2/20 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
SCHEMBL17850914 0.83 LMNA (0.32) PGRLMNAHTTKMT2ACYP1A2
SCHEMBL13231563 0.81 KMT2A (0.41) PGRLMNAHTTKMT2ACYP1A2
SCHEMBL13231537 0.79 KMT2A (0.44) PGRLMNAHTTKMT2ACYP1A2
SCHEMBL13827557 0.78 FAAH (0.44) PGRLMNAHTTKMT2ACYP1A2
SCHEMBL22600796 0.78 PDK2 (0.38) PGRKMT2ACYP1A2CYP2D6
SCHEMBL17850870 0.77 PGR (0.34) PGRHTTKMT2AMAPTMEN1
SCHEMBL17483442 0.77 PGR (0.42) PGRHTTKMT2ACYP1A2CYP2D6
SCHEMBL13231605 0.77 KMT2A (0.38) PGRLMNAHTTKMT2ACYP1A2
SCHEMBL21536903 0.76 PGR (0.39) PGRLMNAHTTKMT2ACYP1A2
SCHEMBL17850986 0.76 GRIA4 (0.33) PGRHTTKMT2AALDH1A1KDM4E

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-3035401-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Kyushu University, National University Corporation (JP) 2016-06-22 EP disclosed