SCHEMBL20923699

SCHEMBL20923699

N#Cc1cc(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)ccc1-c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
METAP2 P50579 1/20 0.40
XDH P47989 2/20 0.39
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KIF11 P52732 2/20 0.38
SRC P12931 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
EPHX2 P34913 1/20 0.36
SCN9A Q15858 2/20 0.35
MAT2A P31153 1/20 0.34
SCN5A Q14524 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
SCHEMBL20923697 0.95 KIF11 (0.41) ALOX5APFEN1METAP2XDHCYP19A1
SCHEMBL20923309 0.91 ALOX5AP (0.40) ALOX5APFEN1METAP2XDHCYP19A1
SCHEMBL20924034 0.91 METAP2 (0.40) METAP2CYP19A1CYP11B1CYP11B2KIF11
SCHEMBL20923557 0.91 ALOX5AP (0.40) ALOX5APFEN1METAP2XDHCYP19A1
SCHEMBL20924077 0.89 METAP2 (0.38) ALOX5APFEN1METAP2XDHCYP11B1
SCHEMBL20923674 0.86 ALOX5AP (0.38) ALOX5APFEN1XDHCYP19A1CYP11B1
SCHEMBL20924005 0.86 KIF11 (0.41) METAP2CYP19A1CYP11B1CYP11B2KIF11
SCHEMBL19909041 0.85 METAP2 (0.42) ALOX5APFEN1METAP2XDHCYP19A1
SCHEMBL20924087 0.85 METAP2 (0.35) ALOX5APFEN1METAP2XDHCYP19A1
SCHEMBL20923574 0.84 ALOX5AP (0.40) ALOX5APFEN1METAP2XDHCYP19A1

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