SCHEMBL19913256

SCHEMBL19913256

Cc1ccc(-c2ccc3c4ccc(-c5ccc(C(F)(F)F)cc5C)cc4n(-c4cc(-c5cc(C)nc(C)c5)c(-n5c6cc(-c7ccc(C(F)(F)F)cc7C)ccc6c6ccc(-c7ccc(C(F)(F)F)cc7C)cc65)cc4C#N)c3c2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
AR P10275 3/20 0.34
XDH P47989 2/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
KIF11 P52732 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CYP1A2 P05177 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
SCHEMBL19919787 0.92 HSP90AB1 (0.33) TSHR
SCHEMBL19917987 0.91 AR (0.36) ALOX5APFEN1ARXDHCTSS
SCHEMBL19913225 0.90 KIF11 (0.36) ALOX5APFEN1ARXDHPSEN1
SCHEMBL19913122 0.90 XDH (0.36) ALOX5APFEN1ARXDHTSHR
SCHEMBL19919651 0.89 ALOX5AP (0.35) ALOX5APFEN1ARXDHPSEN1
SCHEMBL19913240 0.89 ALDH1A1 (0.34) ARTSHRSMN1; SMN2CYP1A2
SCHEMBL19909522 0.88 KIF11 (0.39) ALOX5APFEN1XDHPSEN1PSEN2
SCHEMBL22822310 0.88 AR (0.34) ARXDH
SCHEMBL19917913 0.87 AR (0.38) ARXDHKIF11
SCHEMBL19913228 0.87 KIF11 (0.40) ARPSEN1PSEN2APH1BNCSTN

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