SCHEMBL21390638

SCHEMBL21390638

C=Cc1ccc2c3ccc(-c4cccc(-c5ccccc5-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4)cc3c3ccccc3c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ACACA Q13085 1/20 0.33
ENPP3 O14638 1/20 0.33
RAB9A P51151 1/20 0.33
PTGES O14684 1/20 0.33
ACHE P22303 1/20 0.33
DHODH Q02127 1/20 0.32
ESRRB O95718 1/20 0.32
ESR1 P03372 1/20 0.32
ESRRA P11474 1/20 0.32
ESR2 Q92731 1/20 0.32
MAPT P10636 3/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL21390640 0.93 KDM4E (0.36) ALOX5MEN1KMT2ADHODHMAPT
SCHEMBL21390341 0.91 MEN1 (0.35) PTGS2MEN1KMT2AACACAENPP3
SCHEMBL21390339 0.91 PTGS2 (0.39) PTGS2MEN1KMT2AACACARAB9A
SCHEMBL21390521 0.90 ACHE (0.37) PTGS2MEN1KMT2AACACARAB9A
SCHEMBL16641448 0.88 MEN1 (0.42) ALOX5MEN1KMT2AACACAENPP3
SCHEMBL16641465 0.87 ENPP3 (0.42) ALOX5MEN1KMT2AACACAENPP3
SCHEMBL16641468 0.85 MEN1 (0.42) ALOX5MEN1KMT2AACACAENPP3
SCHEMBL21390340 0.85 MEN1 (0.33) PTGS2MEN1KMT2AMAPTMAPK1
SCHEMBL21390337 0.85 MEN1 (0.44) PTGS2MEN1KMT2APTGESDHODH
SCHEMBL16641476 0.84 DHODH (0.43) ALOX5MEN1KMT2AACACAENPP3

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-3547384-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION Guangzhou Chinaray Optoelectronic Materials Ltd. (CN) 2019-10-02 EP disclosed
US-20190292309-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-09-26 US disclosed