SCHEMBL20924014

SCHEMBL20924014

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.39
EPHX2 P34913 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAT2A P31153 4/20 0.38
MAPK13 O15264 2/20 0.36
RAF1 P04049 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
MAPK9 P45984 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KIF11 P52732 2/20 0.36
XDH P47989 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL20924028 0.97 KIF11 (0.39) METAP2EPHX2CYP19A1CYP11B1CYP11B2
SCHEMBL20923119 0.96 METAP2 (0.39) METAP2EPHX2CYP19A1CYP11B1CYP11B2
SCHEMBL20923116 0.93 KIF11 (0.39) METAP2EPHX2CYP19A1CYP11B1CYP11B2
SCHEMBL20924029 0.92 CYP19A1 (0.38) METAP2EPHX2CYP19A1CYP11B1CYP11B2
SCHEMBL20924021 0.91 METAP2 (0.38) METAP2EPHX2CYP19A1CYP11B1CYP11B2
SCHEMBL20923604 0.91 S1PR1 (0.42) METAP2EPHX2CYP19A1CYP11B1CYP11B2
SCHEMBL19909041 0.90 METAP2 (0.42) METAP2EPHX2CYP19A1CYP11B1CYP11B2
SCHEMBL20923830 0.90 METAP2 (0.37) METAP2EPHX2CYP11B1CYP11B2MAPK13
SCHEMBL19909074 0.89 KIF11 (0.41) METAP2EPHX2CYP19A1CYP11B1CYP11B2
SCHEMBL19913204 0.89 KIF11 (0.41) METAP2EPHX2CYP19A1CYP11B1CYP11B2

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