SCHEMBL17522015

SCHEMBL17522015

CC(C)(C)c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccc7cccnc7c6n5)c5ccccc45)c4ccccc34)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 11/20 0.38
KIF11 P52732 1/20 0.38
GLO1 Q04760 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
TOP1 P11387 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
CCR4 P51679 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MMP2 P08253 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 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
SCHEMBL17491084 0.93 CYP2C9 (0.37) CYP2C9KIF11GLO1TRPV1TOP1
SCHEMBL17521996 0.92 KIF11 (0.39) KIF11GLO1TRPV1TOP1GPR84
SCHEMBL17491085 0.91 CCR1 (0.38) KIF11GLO1TRPV1TOP1GPR84
SCHEMBL17522014 0.89 CCR1 (0.40) GLO1TOP1KDM4EGMNNLMNA
SCHEMBL17522012 0.85 KIF11 (0.38) KIF11GLO1TRPV1TOP1GPR84
SCHEMBL17521988 0.84 CCR1 (0.42) KIF11GLO1TRPV1TOP1GPR84
SCHEMBL17521998 0.84 TRPV1 (0.38) KIF11GLO1TRPV1TOP1GPR84
SCHEMBL17522002 0.83 CCR1 (0.43) GLO1TOP1KDM4EGMNNLMNA
SCHEMBL17491098 0.82 CCR1 (0.42) GLO1TOP1KDM4EGMNNLMNA
SCHEMBL17522047 0.81 CCR1 (0.41) GLO1TOP1KDM4EGMNNLMNA

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-20160043327-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2016-02-11 US disclosed
US-20160043327-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2016-02-11 US disclosed