SCHEMBL19903578

SCHEMBL19903578

Cc1ccc2c3ccc(C)cc3n(-c3cc(C#N)c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3-n3c4cc(C)ccc4c4ccc(C)cc43)c2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
XDH P47989 2/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
NCOA1 Q15788 1/20 0.32
HIF1A Q16665 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 2/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL19912360 0.95 AR (0.36) ARSMN1; SMN2TSHRXDHLMNA
SCHEMBL19917995 0.94 KIF11 (0.36) ARSMN1; SMN2TSHRXDHHTT
SCHEMBL20617046 0.94 RXRA (0.37) ARSMN1; SMN2TSHRXDHLMNA
SCHEMBL19903531 0.92 AR (0.36) ARSMN1; SMN2TSHRXDHCTSS
SCHEMBL22564560 0.91 TSHR (0.35) ARSMN1; SMN2TSHRXDHKIF11
SCHEMBL19903579 0.91 AR (0.36) ARSMN1; SMN2TSHRXDHCTSS
SCHEMBL19912357 0.90 KIF11 (0.35) ARSMN1; SMN2TSHRXDHHTT
SCHEMBL22822647 0.90 KIF11 (0.34) ARSMN1; SMN2TSHRXDHLMNA
SCHEMBL19903506 0.89 KIF11 (0.37) ARSMN1; SMN2TSHRXDHCTSS
SCHEMBL20925084 0.88 CYP11B1 (0.37) ARSMN1; SMN2TSHRXDHCTSS

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 3 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
EP-3287450-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-20 EP disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP disclosed