SCHEMBL17936166

SCHEMBL17936166

N#Cc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)sc2cc(N(c4ccc(C#N)cc4)c4ccc5ccccc5c4)ccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
LIMK1 P53667 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
APP P05067 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
G6PD P11413 1/20 0.32
CLK1 P49759 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL19801832 0.92 CA1 (0.38) CA1CA2RAB9AMEN1NPC1
SCHEMBL18751765 0.87 MEN1 (0.45) CA1CA2RAB9AMEN1NPC1
SCHEMBL15434379 0.87 MEN1 (0.45) CA1CA2RAB9AMEN1NPC1
SCHEMBL17936143 0.86 CA1 (0.33) CA1CA2RAB9AMEN1NPC1
SCHEMBL17740705 0.85 ALDH1A1 (0.37) CA1CA2RAB9AMEN1KMT2A
SCHEMBL25544842 0.85 APP (0.40) CA1CA2LIMK1APPG6PD
SCHEMBL15856526 0.85 PTGDR2 (0.36) CA1CA2RAB9AMEN1NPC1
SCHEMBL25544854 0.84 G6PD (0.43) CA1CA2RAB9ALIMK1PTGDR2
SCHEMBL17936144 0.83 LIMK1 (0.41) LIMK1PTGDR2APPABCG2G6PD
SCHEMBL15856524 0.82 CA1 (0.39) CA1CA2MEN1KMT2ALIMK1

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
US-20160211459-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed