SCHEMBL21782508

SCHEMBL21782508

CC(C)(C)c1ccccc1-c1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)nc(-c2ccccc2C(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
CYP1A2 P05177 6/20 0.37
CYP3A4 P08684 5/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP2D6 P10635 4/20 0.37
LMNA P02545 4/20 0.37
TSHR P16473 3/20 0.37
CYP2C19 P33261 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 2/20 0.35
GABRA1 P14867 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 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
SCHEMBL24279055 1.00 PTGER4 (0.38) PTGER4CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21782481 0.97 PTGER4 (0.39) PTGER4CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21782483 0.95 PTGER4 (0.37) PTGER4CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21782445 0.95 PTGER4 (0.37) PTGER4CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21782439 0.94 PTGER4 (0.36) PTGER4CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21782440 0.94 PTGER4 (0.36) PTGER4CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21782452 0.93 PTGER4 (0.37) PTGER4CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21782485 0.93 PTGER4 (0.37) PTGER4CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21782451 0.93 PTGER4 (0.39) PTGER4CYP1A2CYP3A4MEN1ALDH1A1
SCHEMBL21782453 0.93 PTGER4 (0.39) PTGER4CYP1A2CYP3A4MEN1ALDH1A1

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