SCHEMBL21279181

SCHEMBL21279181

Cc1cc(-c2cc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c(C#N)cc2-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)nc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
CTSK P43235 3/20 0.35
CTSS P25774 2/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAT2A P31153 4/20 0.33
PDE10A Q9Y233 1/20 0.33
GRM5 P41594 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
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
XDH P47989 1/20 0.31
SCN9A Q15858 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL21279173 0.96 KIF11 (0.41) KIF11CTSKCTSSTSHRSMN1; SMN2
SCHEMBL21278863 0.93 TSHR (0.36) KIF11CTSKCTSSTSHRSMN1; SMN2
SCHEMBL21278866 0.90 KIF11 (0.41) KIF11CTSKCTSSTSHRSMN1; SMN2
SCHEMBL21279110 0.87 SLC22A12 (0.31) KIF11MAT2A
SCHEMBL21108364 0.86 KIF11 (0.39) KIF11CTSKCTSSTSHRSMN1; SMN2
SCHEMBL22563711 0.86 KIF11 (0.39) KIF11CTSKCTSSTSHRSMN1; SMN2
SCHEMBL19909522 0.86 KIF11 (0.39) KIF11CTSKCTSSTSHRSMN1; SMN2
SCHEMBL21278733 0.83 ALDH1A1 (0.32) TSHRSMN1; SMN2
SCHEMBL19913225 0.82 KIF11 (0.36) KIF11TSHRSMN1; SMN2MAT2AGRM5
SCHEMBL21108306 0.82 KIF11 (0.43) KIF11TSHRSMN1; SMN2MAT2APDE10A

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
EP-3399004-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-08-21 EP disclosed