SCHEMBL19975846

SCHEMBL19975846

Cc1cc(C)c(-n2ccnc2-c2cccc3c2OCC3)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.35
HASPIN Q8TF76 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
PARP1 P09874 1/20 0.33
MAP4K1 Q92918 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
EPHB4 P54760 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL12797936 0.75 FLT1 (0.42) CYP1A2MAPT
SCHEMBL21231601 0.73 NPSR1 (0.33)
SCHEMBL12797930 0.68 KDR (0.39) CYP17A1CYP1A2MAPT
SCHEMBL1316463 0.68 KDR (0.52)
SCHEMBL19975847 0.68 TP53 (0.33) MAPT
SCHEMBL20713018 0.67 PARP1 (0.45) GRM2HASPINPARP1CYP17A1CYP1A2
SCHEMBL12797931 0.67 FLT1 (0.49) CYP1A2MEN1MAPTKMT2ABRD4
SCHEMBL13589306 0.67 KDM4E (0.33) KMT2A
SCHEMBL28848948 0.67 KDR (0.51)
SCHEMBL29070232 0.67 KDR (0.51)

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-2677561-B1 ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, AND DISPLAY DEVICE KONICA MINOLTA INC (JP) 2019-08-07 EP disclosed
US-9923154-B2 Organic electroluminescent element, lighting device, and display device Konica Minolta, Inc. (JP) 2018-03-20 US disclosed