SCHEMBL20924018

SCHEMBL20924018

Cc1cc(-c2ccncc2)c(C#N)cc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
KIF11 P52732 1/20 0.36
XDH P47989 2/20 0.36
HRH1 P35367 1/20 0.36
HTR6 P50406 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
EPHX2 P34913 1/20 0.34
SQOR Q9Y6N5 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ELANE P08246 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE5A O76074 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL20923117 0.96 METAP2 (0.37) METAP2KIF11XDHHRH1HTR6
SCHEMBL20924019 0.95 XDH (0.39) METAP2KIF11XDHHRH1HTR6
SCHEMBL20924025 0.94 KIF11 (0.41) METAP2KIF11XDHGPBAR1SCN5A
SCHEMBL19909040 0.92 METAP2 (0.39) METAP2KIF11XDHHRH1HTR6
SCHEMBL20924134 0.91 AR (0.37) METAP2XDHSCN5ASCN9AAR
SCHEMBL20923115 0.91 METAP2 (0.38) METAP2KIF11XDHHRH1HTR6
SCHEMBL20923856 0.91 METAP2 (0.35) METAP2XDHGPBAR1SCN5ASCN9A
SCHEMBL20923636 0.90 KIF11 (0.41) METAP2KIF11XDHGPBAR1SCN5A
SCHEMBL20924021 0.89 METAP2 (0.38) METAP2KIF11XDHHRH1HTR6
SCHEMBL20924017 0.89 METAP2 (0.40) METAP2KIF11XDHSCN5ASCN9A

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-3266772-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-04-24 EP disclosed