SCHEMBL17209148

SCHEMBL17209148

c1ccc2c(-c3ccc4c(c3)c3cc(-c5cccc6ccccc56)ccc3n4-c3ccc4c(c3)Cc3cc(-c5cc6ccccc6c6ccccc56)ccc3-4)cccc2c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
ALK Q9UM73 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NTSR1 P30989 2/20 0.32
CYP11B1 P15538 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
CREBBP Q92793 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
SCHEMBL17209241 1.00 MCL1 (0.33) MCL1ACMSDALKALDH1A1HPGD
SCHEMBL17209287 0.97 ALK (0.37) MCL1ACMSDALKALDH1A1HPGD
SCHEMBL17209219 0.97 ALK (0.37) MCL1ACMSDALKALDH1A1HPGD
SCHEMBL17209144 0.97 ALK (0.37) MCL1ACMSDALKALDH1A1HPGD
SCHEMBL17209240 0.97 ALK (0.37) MCL1ACMSDALKALDH1A1HPGD
SCHEMBL17209294 0.94 MCL1 (0.36) MCL1ACMSDALKALDH1A1HPGD
SCHEMBL17209199 0.94 CYP11B1 (0.35) CYP11B1
SCHEMBL17209299 0.92 NPC1 (0.36) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL17209218 0.91 ALK (0.40) MCL1ACMSDALKNTSR1CTDSP1
SCHEMBL17209239 0.91 CYP11B1 (0.33) ALKCYP11B1

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