SCHEMBL21782446

SCHEMBL21782446

CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(C#N)cc3-c3nc(-c4ccc(C(C)(C)C)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
KIF11 P52732 1/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C19 P33261 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 3/20 0.36
CSNK1D P48730 3/20 0.35
CSNK1G2 P78368 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL21782503 0.98 PTGER4 (0.39) PTGER4KIF11MEN1KMT2ACYP1A2
SCHEMBL21782507 0.98 PTGER4 (0.39) PTGER4KIF11MEN1KMT2ACYP1A2
SCHEMBL21782433 0.96 PTGER4 (0.38) PTGER4KIF11MEN1KMT2ACYP1A2
SCHEMBL21782486 0.96 PTGER4 (0.38) PTGER4KIF11MEN1KMT2ACYP1A2
SCHEMBL21782438 0.95 PTGER4 (0.38) PTGER4KIF11MEN1KMT2ACYP1A2
SCHEMBL21782506 0.95 PTGER4 (0.38) PTGER4KIF11MEN1KMT2ACYP1A2
SCHEMBL21782483 0.94 PTGER4 (0.37) PTGER4KIF11MEN1KMT2ACYP1A2
SCHEMBL21782445 0.94 PTGER4 (0.37) PTGER4KIF11MEN1KMT2ACYP1A2
SCHEMBL21782450 0.93 PTGER4 (0.40) PTGER4KIF11MEN1KMT2ACYP1A2
SCHEMBL21782522 0.92 CYP1A2 (0.40) PTGER4MEN1KMT2ACYP1A2CYP3A4

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