SCHEMBL17209258

SCHEMBL17209258

c1ccc2c(c1)Cc1cc(-n3c4ccc(-c5cccc6ccccc56)cc4c4cc(-c5cccc6ccccc56)ccc43)ccc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
ALK Q9UM73 1/20 0.35
SRD5A2 P31213 1/20 0.34
NTSR1 P30989 2/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDPK1 O15530 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 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
SCHEMBL17209294 0.96 MCL1 (0.36) CTDSP1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17209276 0.95 ALK (0.40) CTDSP1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17209158 0.95 ALK (0.40) CTDSP1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17209218 0.93 ALK (0.40) CTDSP1MCL1ACMSDALKNTSR1
SCHEMBL17209174 0.93 ALK (0.40) CTDSP1MCL1ACMSDALKNTSR1
SCHEMBL17209250 0.92 CA12 (0.38) CTDSP1MCL1ACMSDALKNTSR1
SCHEMBL17209138 0.92 CA12 (0.38) CTDSP1MCL1ACMSDALKNTSR1
SCHEMBL17209225 0.92 CA12 (0.38) CTDSP1MCL1ACMSDALKNTSR1
SCHEMBL17209141 0.92 CA12 (0.38) CTDSP1MCL1ACMSDALKNTSR1
SCHEMBL17209196 0.92 CA12 (0.38) CTDSP1MCL1ACMSDALKNTSR1

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-2015163584-A1 NOVEL COMPOUND AND LIGHT EMITTING ELEMENT COMPRISING SAME 주식회사 엘엠에스 2015-10-29 WO disclosed