SCHEMBL20111852

SCHEMBL20111852

N#Cc1cc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1-n1c2cc(-c3ccccc3)ccc2c2ccc(-c3ccccc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.36
KIF11 P52732 2/20 0.35
PGR P06401 3/20 0.34
TRPA1 O75762 1/20 0.33
DHODH Q02127 1/20 0.33
XDH P47989 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL21258793 0.98 KIF11 (0.36) ARKIF11PGRTRPA1DHODH
SCHEMBL20111851 0.93 AR (0.36) ARKIF11PGRTRPA1DHODH
SCHEMBL20111826 0.93 TRPA1 (0.38) ARKIF11PGRTRPA1DHODH
SCHEMBL20111850 0.93 AR (0.37) ARKIF11PGRDHODHXDH
SCHEMBL21258783 0.92 KIF11 (0.39) ARKIF11PGRTRPA1
SCHEMBL20111830 0.92 TRPA1 (0.36) ARKIF11PGRTRPA1DHODH
SCHEMBL21258794 0.92 AR (0.33) ARKIF11PGRXDHALDH1A1
SCHEMBL21258678 0.92 AR (0.41) ARKIF11PGRTRPA1ALOX5AP
SCHEMBL20111600 0.92 KIF11 (0.42) ARKIF11PGRALOX5APFEN1
SCHEMBL25659644 0.92 ALOX5AP (0.38) KIF11DHODHXDHALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
WO-2018077492-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-03 WO disclosed