SCHEMBL17850986

SCHEMBL17850986

CC1(C)c2ccccc2N(c2ccc(-c3c(-c4ccccc4)c(C#N)c(C=N)c(-c4ccccc4)c3-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 3/20 0.33
PGR P06401 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
CRHR2 Q13324 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
GRIA2 P42262 1/20 0.31
AR P10275 1/20 0.31
MAPT P10636 1/20 0.31
PTPN1 P18031 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL17850870 0.98 PGR (0.34) PGRMEN1KMT2ACRHBPHTT
SCHEMBL17483344 0.88 GRIA4 (0.38) GRIA4PGRALDH1A1KDM4ERXFP1
SCHEMBL17850914 0.88 LMNA (0.32) PGRALDH1A1KDM4EMEN1KMT2A
SCHEMBL17483346 0.88 GRIA4 (0.38) GRIA4PGRALDH1A1KDM4ERXFP1
SCHEMBL17483390 0.86 PGR (0.39) GRIA4PGRALDH1A1KDM4ERXFP1
SCHEMBL17883172 0.84 PGR (0.40) GRIA4PGRALDH1A1KDM4ERXFP1
SCHEMBL17850991 0.84 ALDH1A1 (0.35) GRIA4ALDH1A1KDM4ERXFP1GRIA2
SCHEMBL19648909 0.77
SCHEMBL24432777 0.76 PDE9A (0.37) PGRALDH1A1KDM4ERXFP1MEN1
SCHEMBL23085274 0.76 KDM4E (0.31) GRIA4PGRALDH1A1KDM4EAR

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