SCHEMBL16549064

SCHEMBL16549064

Cc1cc(C)cc(N2c3nccnc3N(c3cc(C)cc(C)c3)C2C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.36
GFER P55789 1/20 0.36
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NOTUM Q6P988 1/20 0.33
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CCR6 P51684 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL17831015 0.77 GRM5 (0.34) SMN1; SMN2GFER
SCHEMBL25518198 0.77 SMN1; SMN2 (0.39) SMN1; SMN2GFERKDM4EMAPT
SCHEMBL14682691 0.73 GFER (0.35) LMNASMN1; SMN2GFERKDM4EMAPT
SCHEMBL21074240 0.73 TSHR (0.33) LMNASMN1; SMN2GFERKDM4EMAPT
SCHEMBL21074282 0.72 ALDH1A1 (0.39) LMNASMN1; SMN2GFERKDM4EMAPT
SCHEMBL19999700 0.72 ALDH1A1 (0.39) LMNASMN1; SMN2GFERKDM4EMAPT
SCHEMBL14682692 0.71 HSD11B1 (0.39) LMNASMN1; SMN2MAPTNOTUM
SCHEMBL19749036 0.69 ALDH1A1 (0.42) LMNASMN1; SMN2GFERKDM4EMAPT
SCHEMBL19224778 0.67 ALDH1A1 (0.35) LMNASMN1; SMN2KDM4EMAPTNPSR1
SCHEMBL15631672 0.67 ALDH1A1 (0.35) LMNASMN1; SMN2KDM4EMAPTNPSR1

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
US-9853229-B2 Organic electroluminescent materials and devices UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-12-26 US disclosed
US-20150060795-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSITY OF SOUTHERN CALIFORNIA 2015-03-05 US disclosed