SCHEMBL20924142

SCHEMBL20924142

Cc1cc(-c2ccncc2)c(C#N)cc1-n1c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.38
XDH P47989 3/20 0.37
SCN9A Q15858 3/20 0.36
SCN5A Q14524 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PDE5A O76074 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL20923270 0.96 METAP2 (0.38) METAP2XDHSCN9ASCN5ACYP11B1
SCHEMBL20924141 0.95 METAP2 (0.35) METAP2XDHSCN9ASCN5ACYP11B1
SCHEMBL20923600 0.92 XDH (0.37) METAP2XDHSCN9ASCN5ACYP11B1
SCHEMBL19919773 0.92 METAP2 (0.40) METAP2XDHSCN9ASCN5ACYP11B1
SCHEMBL20923273 0.92 METAP2 (0.35) METAP2XDHSCN9ASCN5ACYP11B1
SCHEMBL20924017 0.90 METAP2 (0.40) METAP2XDHSCN9ASCN5AKDM4E
SCHEMBL20923856 0.90 METAP2 (0.35) METAP2XDHSCN9ASCN5ACYP11B1
SCHEMBL20923257 0.88 METAP2 (0.36) METAP2XDHSCN9ASCN5ACYP11B1
SCHEMBL20923830 0.87 METAP2 (0.37) METAP2XDHSCN9ASCN5ACYP11B1
SCHEMBL19919772 0.87 METAP2 (0.37) METAP2XDHSCN9ASCN5ACYP11B1

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