SCHEMBL23027420

SCHEMBL23027420

c1ccc(-c2nc(-c3ccc(-c4cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc5ccccc45)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
GGPS1 O95749 1/20 0.39
PRKDC P78527 3/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
MAPT P10636 7/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 4/20 0.36
HPGD P15428 3/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL23027421 0.98 ALOX5 (0.47) ALOX5GGPS1PRKDCPTGES2MAPT
SCHEMBL23027412 0.96 ALOX5 (0.46) ALOX5GGPS1PRKDCPTGES2MAPT
SCHEMBL23027416 0.96 ALOX5 (0.46) ALOX5GGPS1PRKDCPTGES2MAPT
SCHEMBL22888669 0.94 ALOX5 (0.44) ALOX5GGPS1PRKDCPTGES2MAPT
SCHEMBL23027424 0.93 ALOX5 (0.41) ALOX5GGPS1PRKDCMAPTKDM4E
SCHEMBL22888606 0.92 ALOX5 (0.46) ALOX5GGPS1PRKDCPTGES2MAPT
SCHEMBL23027422 0.91 ALOX5 (0.43) ALOX5GGPS1PRKDCPTGES2MAPT
SCHEMBL23027607 0.91 ALOX5 (0.53) ALOX5GGPS1PRKDCPTGES2MAPT
SCHEMBL23027644 0.91 ALOX5 (0.53) ALOX5GGPS1PRKDCPTGES2MAPT
SCHEMBL22888997 0.90 ALOX5 (0.43) ALOX5GGPS1PRKDCMAPTKDM4E

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
WO-2021033731-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-02-25 WO disclosed