SCHEMBL20924088

SCHEMBL20924088

N#Cc1ccc(-n2c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)cc1-c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.37
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
METAP2 P50579 1/20 0.35
SRC P12931 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
KIF11 P52732 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 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
SCHEMBL20923557 0.93 ALOX5AP (0.40) ARALOX5APFEN1METAP2SRC
SCHEMBL21131808 0.91 AR (0.42) ARALOX5APFEN1
SCHEMBL20923671 0.90 AR (0.39) ARCYP19A1CYP11B1CYP11B2S1PR1
SCHEMBL20924034 0.90 METAP2 (0.40) METAP2SRCBRAFKDRKIF11
SCHEMBL20923674 0.89 ALOX5AP (0.38) ARALOX5APFEN1KIF11CYP19A1
SCHEMBL19919764 0.87 ALOX5AP (0.38) ARALOX5APFEN1METAP2KIF11
SCHEMBL21131418 0.86 AR (0.44) ARALOX5APFEN1KIF11
SCHEMBL20923736 0.86 CYP11B1 (0.40) METAP2SRCBRAFKDRKIF11
SCHEMBL20923574 0.85 ALOX5AP (0.40) ARALOX5APFEN1METAP2SRC
SCHEMBL20924005 0.85 KIF11 (0.41) ARMETAP2SRCBRAFKDR

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