SCHEMBL21547074

SCHEMBL21547074

CCn1c2cc(-c3cc(C#N)cc(C#N)c3)ccc2c2ccc(-c3cc(C#N)cc(C#N)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.43
PGR P06401 4/20 0.41
METAP2 P50579 3/20 0.40
RORC P51449 4/20 0.39
CHEK1 O14757 1/20 0.38
ROCK2 O75116 1/20 0.37

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
SCHEMBL21076085 0.81 PTGER4 (0.48) PTGER4RORCROCK2
SCHEMBL17660022 0.76 KDM4E (0.41) METAP2
SCHEMBL22870164 0.75 KDM4E (0.56)
SCHEMBL21599721 0.74 PTGER4 (0.59) PTGER4RORC
SCHEMBL5999686 0.74 KDM4E (0.59)
SCHEMBL21076076 0.74 METAP2 (0.48) METAP2
SCHEMBL21414287 0.73 PGR (0.36) PGRCHEK1
SCHEMBL21414144 0.73 PGR (0.36) PGRCHEK1
SCHEMBL21414170 0.73 CHEK1 (0.38) PGRCHEK1
SCHEMBL21116858 0.72 CYP11B1 (0.36) PGRCHEK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 EP disclosed