SCHEMBL19913191

SCHEMBL19913191

Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5cc(C)cc(C(F)(F)F)c5)ccc43)c2C#N)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.34
KIF11 P52732 3/20 0.33
ADORA1 P30542 1/20 0.32
CYP11B2 P19099 1/20 0.31
SQOR Q9Y6N5 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
AR P10275 2/20 0.31
POLB P06746 1/20 0.31
PDE9A O76083 1/20 0.31
PDE1C Q14123 1/20 0.31
RXRA P19793 1/20 0.30
RXRG P48443 1/20 0.30
NR2E1 Q9Y466 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL19912405 1.00 MAPK14 (0.34) MAPK14KIF11ADORA1CYP11B2SQOR
SCHEMBL19913190 0.94 MAPK14 (0.34) MAPK14KIF11ADORA1CYP11B2SQOR
SCHEMBL19913192 0.93 KIF11 (0.35) KIF11CYP11B2PSEN1PSEN2APH1B
SCHEMBL19909451 0.93 KIF11 (0.37) MAPK14KIF11CYP11B2SQORRXRA
SCHEMBL19903523 0.93 KIF11 (0.37) MAPK14KIF11CYP11B2SQORRXRA
SCHEMBL19912555 0.93 AR (0.34) KIF11ARPOLBPDE9APDE1C
SCHEMBL19912532 0.92 AR (0.37) KIF11ADORA1ARPOLBPDE9A
SCHEMBL19912379 0.92 AR (0.35) KIF11ADORA1ARPDE9APDE1C
SCHEMBL19912546 0.92 AR (0.34) KIF11ARPOLBPDE9APDE1C
SCHEMBL19917819 0.90 AR (0.34) KIF11ARPOLBPDE9APDE1C

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-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed