SCHEMBL21710488

SCHEMBL21710488

c1ccc(-c2ccc(-c3ccc4c(c3)c3cc5ccccc5c5c6cc(-c7cccc8c7cc7c9cc(-c%10ccc%11oc%12ccc(-c%13ccc%14c(c%13)oc%13c(-c%15ccc%16c(c%15)c%15cc%17ccccc%17c%17c%18ccccc%18n%16c%15%17)cccc%13%14)cc%12c%11c%10)ccc9n9c%10ccccc%10c8c79)ccc6n4c35)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
PRKDC P78527 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.31
GGPS1 O95749 1/20 0.31
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 1/20 0.30
PIM1 P11309 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL21717840 0.93 PRKDC (0.42) ALOX5PRKDCPTGES2GGPS1
SCHEMBL22679481 0.85 ALOX5 (0.48) ALOX5PRKDCPTGES2GGPS1
SCHEMBL21710584 0.85 PRKDC (0.38) ALOX5PRKDCPTGES2GGPS1PLA2G2A
SCHEMBL22858282 0.83 ALOX5 (0.48) ALOX5PRKDCPTGES2GGPS1
SCHEMBL22679480 0.80 NPC1 (0.37) PLA2G2APLA2G4A
SCHEMBL21718135 0.80 ALOX5 (0.41) ALOX5PRKDCPTGES2GGPS1
SCHEMBL22858280 0.78 NPC1 (0.37) PLA2G2APLA2G4A
SCHEMBL25166664 0.78 ALOX5 (0.41) ALOX5PRKDCPTGES2GGPS1PLA2G2A
SCHEMBL21710662 0.78 NTSR1 (0.32)
SCHEMBL21718109 0.76 TSPO (0.36) PRKDCPLA2G2APLA2G4A

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
US-20200052212-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 US disclosed