SCHEMBL19089853

SCHEMBL19089853

C=Cc1ccc(N(c2ccc(C=C)cc2)c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.40
EPHX2 P34913 4/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
RARB P10826 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL19089864 0.95 ALDH1A1 (0.40) LMNAALDH1A1GAAEPHX2MEN1
SCHEMBL2776531 0.86 ALDH1A1 (0.57) LMNAALDH1A1GAAEPHX2MEN1
SCHEMBL13636765 0.83 LMNA (0.50) LMNAALDH1A1GAAEPHX2MEN1
SCHEMBL19089830 0.82 ALDH1A1 (0.31) LMNAALDH1A1GAARARB
SCHEMBL15468976 0.82 LMNA (0.61) LMNAALDH1A1GAAEPHX2MEN1
SCHEMBL17852977 0.82 HSD11B1 (0.42) GAAMEN1KMT2APOLBGRIN2D
SCHEMBL17852969 0.82 GRIN2D (0.49) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23691172 0.81 LMNA (0.49) LMNAALDH1A1GAAEPHX2MEN1
SCHEMBL19089802 0.81 LMNA (0.49) LMNAALDH1A1GAAEPHX2MEN1
SCHEMBL24421734 0.81 LMNA (0.49) LMNAALDH1A1GAAEPHX2MEN1

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
WO-2017116168-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 머티어리얼사이언스 주식회사 2017-07-06 WO disclosed