SCHEMBL20924082

SCHEMBL20924082

N#Cc1cc(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)ccc1-c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.35
MAPK14 Q16539 2/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
XDH P47989 1/20 0.34
AR P10275 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CYP19A1 P11511 1/20 0.33
EPHX2 P34913 1/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL20923672 0.95 CYP11B1 (0.37) METAP2CYP11B1CYP11B2XDHALOX5AP
SCHEMBL20924087 0.94 METAP2 (0.35) METAP2MAPK14CYP11B1CYP11B2XDH
SCHEMBL20923463 0.92 CYP11B1 (0.36) METAP2MAPK14CYP11B1CYP11B2AR
SCHEMBL20924077 0.89 METAP2 (0.38) METAP2CYP11B1CYP11B2XDHALOX5AP
SCHEMBL20923573 0.88 ALOX5AP (0.38) CYP11B1CYP11B2XDHARALOX5AP
SCHEMBL22170431 0.87 METAP2 (0.37) METAP2MAPK14CYP11B1CYP11B2XDH
SCHEMBL20923231 0.87 CYP11B1 (0.40) METAP2CYP11B1CYP11B2ARGPBAR1
SCHEMBL20923110 0.87 PIK3CA (0.41) XDHCYP19A1
SCHEMBL20923731 0.86 CYP11B1 (0.36) METAP2MAPK14CYP11B1CYP11B2AR
SCHEMBL20923296 0.85 LMNA (0.39) METAP2MAPK14CYP11B1CYP11B2XDH

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