SCHEMBL19903646

SCHEMBL19903646

Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc(-n4c5cc(C)ccc5c5ccc(C)cc54)c3C#N)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
RXRA P19793 4/20 0.33
RXRG P48443 3/20 0.33
AR P10275 2/20 0.33
KIF11 P52732 3/20 0.33
RXRB P28702 3/20 0.32
NAAA Q02083 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL19912338 0.95 POLB (0.35) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL19917906 0.94 KIF11 (0.39) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL22564487 0.94 RXRA (0.41) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL19912525 0.92 KIF11 (0.36) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL19917797 0.91 AR (0.42) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL19903673 0.90 HTT (0.39) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL19912335 0.90 KIF11 (0.37) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL19917808 0.89 KDM5B (0.35) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL22822536 0.89 RXRA (0.38) POLBLMNAHTTNCOA1SMN1; SMN2
SCHEMBL19917939 0.89 AR (0.33) POLBLMNAHTTNCOA1SMN1; SMN2

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