SCHEMBL21782482

SCHEMBL21782482

CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5nc(-c6c(C(C)(C)C)cc(C(C)(C)C)cc6C(C)(C)C)nc(-c6c(C(C)(C)C)cc(C(C)(C)C)cc6C(C)(C)C)n5)ccc43)n2)cc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
KIF11 P52732 1/20 0.32
RORC P51449 1/20 0.31
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C19 P33261 2/20 0.30
KMT2A Q03164 2/20 0.30
CLK4 Q9HAZ1 2/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21782449 0.96 PTGER4 (0.38) PTGER4KIF11RORCMEN1ALDH1A1
SCHEMBL21782448 0.95 PTGER4 (0.37) PTGER4KIF11RORCMEN1ALDH1A1
SCHEMBL21782454 0.95 PTGER4 (0.38) PTGER4KIF11RORCMEN1ALDH1A1
SCHEMBL21782519 0.95 PTGER4 (0.38) PTGER4KIF11RORCMEN1ALDH1A1
SCHEMBL21782487 0.94 PTGER4 (0.38) PTGER4KIF11RORC
SCHEMBL21782450 0.94 PTGER4 (0.40) PTGER4KIF11RORCMEN1ALDH1A1
SCHEMBL21782485 0.92 PTGER4 (0.37) PTGER4KIF11RORCMEN1ALDH1A1
SCHEMBL21782452 0.92 PTGER4 (0.37) PTGER4KIF11RORCMEN1ALDH1A1
SCHEMBL21782433 0.91 PTGER4 (0.38) PTGER4KIF11RORCMEN1ALDH1A1
SCHEMBL21782486 0.91 PTGER4 (0.38) PTGER4KIF11RORCMEN1ALDH1A1

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-3617290-B1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2022-03-09 EP disclosed
EP-3617290-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-03-04 EP disclosed