SCHEMBL16631186

SCHEMBL16631186

c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(C3(c4ccc5c(c4)sc4ccccc45)c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 7/20 0.33
S1PR4 O95977 6/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL16631102 0.94 S1PR5 (0.33) S1PR5S1PR4MAPTSMN1; SMN2KDM4E
SCHEMBL18118738 0.93 S1PR4 (0.31) S1PR5S1PR4
SCHEMBL25137882 0.91 S1PR5 (0.32) S1PR5S1PR4MAPTSMN1; SMN2ALDH1A1
SCHEMBL17126582 0.91 S1PR5 (0.33) S1PR5S1PR4MAPTSMN1; SMN2KDM4E
SCHEMBL16631197 0.90 MAPT (0.36) MAPTSMN1; SMN2KDM4EMEN1LMNA
SCHEMBL18645819 0.90 MAPT (0.32) MAPTSMN1; SMN2KDM4EMEN1LMNA
SCHEMBL17126510 0.90 S1PR5 (0.33) S1PR5S1PR4MAPTSMN1; SMN2KDM4E
SCHEMBL16631085 0.89 MAPT (0.39) MAPTSMN1; SMN2KDM4EMEN1LMNA
SCHEMBL18326084 0.89 S1PR5 (0.33) S1PR5S1PR4
SCHEMBL16631134 0.89 S1PR5 (0.33) S1PR5S1PR4

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-2015050391-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-09 WO disclosed