SCHEMBL20923830

SCHEMBL20923830

N#Cc1cc(-n2c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)c(-c2ccccc2)cc1-c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
GPBAR1 Q8TDU6 4/20 0.36
EPHX2 P34913 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPK13 O15264 2/20 0.34
RAF1 P04049 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
MAPK9 P45984 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
XDH P47989 2/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 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
SCHEMBL20924144 0.97 METAP2 (0.36) METAP2GPBAR1EPHX2CYP11B1CYP11B2
SCHEMBL20923768 0.96 METAP2 (0.37) METAP2GPBAR1EPHX2CYP11B1CYP11B2
SCHEMBL20923274 0.93 METAP2 (0.36) METAP2GPBAR1EPHX2CYP11B1CYP11B2
SCHEMBL20923601 0.92 GPBAR1 (0.36) METAP2GPBAR1EPHX2CYP11B1CYP11B2
SCHEMBL20923847 0.92 METAP2 (0.36) METAP2GPBAR1EPHX2CYP11B1CYP11B2
SCHEMBL19919773 0.91 METAP2 (0.40) METAP2GPBAR1EPHX2CYP11B1CYP11B2
SCHEMBL19919772 0.90 METAP2 (0.37) METAP2GPBAR1EPHX2CYP11B1CYP11B2
SCHEMBL19919460 0.90 CYP11B1 (0.35) METAP2GPBAR1EPHX2CYP11B1CYP11B2
SCHEMBL19919461 0.90 CYP11B1 (0.37) METAP2GPBAR1EPHX2CYP11B1CYP11B2
SCHEMBL20924014 0.90 METAP2 (0.39) METAP2EPHX2CYP11B1CYP11B2MAPK13

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