SCHEMBL16837500

SCHEMBL16837500

c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c(-c5ccccc5)cc5ccccc56)cc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MPI P34949 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
GPR3 P46089 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIM3 Q86V86 1/20 0.32
F9 P00740 2/20 0.32
ALOX5 P09917 1/20 0.32
CYP1A2 P05177 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
PTPN7 P35236 1/20 0.30
DUSP3 P51452 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
SCHEMBL16837479 1.00 CYP11B1 (0.35) CYP11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16837486 0.96 ALDH1A1 (0.35) CYP11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16837487 0.96 ALDH1A1 (0.35) CYP11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23822178 0.96 CYP11B1 (0.38) CYP11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23822487 0.96 CYP11B1 (0.38) CYP11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23822488 0.94 CYP11B1 (0.35) CYP11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23626438 0.93 CYP11B1 (0.35) CYP11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23822490 0.93 CYP11B1 (0.37) CYP11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23820839 0.93 GPR3 (0.39) CYP11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL22671295 0.91 ALDH1A1 (0.38) CYP11B1ALDH1A1MAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9065060-B2 Compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2015-06-23 US disclosed
US-9065060-B2 Compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2015-06-23 US disclosed