SCHEMBL20924028

SCHEMBL20924028

N#Cc1cc(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)c(-c2ccccc2)cc1-c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
METAP2 P50579 1/20 0.38
EPHX2 P34913 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAT2A P31153 3/20 0.36
MAPK14 Q16539 3/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
MAPK13 O15264 2/20 0.35
RAF1 P04049 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK9 P45984 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
XDH P47989 1/20 0.35

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
SCHEMBL20924014 0.97 METAP2 (0.39) KIF11METAP2EPHX2SQORCYP19A1
SCHEMBL20923116 0.96 KIF11 (0.39) KIF11METAP2EPHX2SQORCYP19A1
SCHEMBL20924021 0.94 METAP2 (0.38) KIF11METAP2EPHX2SQORCYP19A1
SCHEMBL19913204 0.93 KIF11 (0.41) KIF11METAP2EPHX2SQORCYP19A1
SCHEMBL19909074 0.93 KIF11 (0.41) KIF11METAP2EPHX2SQORCYP19A1
SCHEMBL20923119 0.93 METAP2 (0.39) KIF11METAP2EPHX2SQORCYP19A1
SCHEMBL20923603 0.91 S1PR1 (0.40) METAP2EPHX2SQORCYP19A1CYP11B1
SCHEMBL20924029 0.91 CYP19A1 (0.38) KIF11METAP2EPHX2SQORCYP19A1
SCHEMBL20924144 0.91 METAP2 (0.36) METAP2EPHX2SQORCYP11B1CYP11B2
SCHEMBL20923118 0.90 METAP2 (0.38) KIF11METAP2EPHX2SQORCYP19A1

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