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Sugi Predict / Compounds / SCHEMBL24766864

SCHEMBL24766864

SCHEMBL24766864

c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc4c5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc(-c7cccc(-c8ccccc8-c8cccc(N(c9cccc(-c%10ccccc%10)c9)c9cc%10c%11cc(N(c%12cccc(-c%13ccccc%13)c%12)c%12cccc(-c%13ccccc%13)c%12)c%12ccccc%12c%11oc%10c%10ccccc9%10)c8)c7)c6)c6ccccc6c5oc4c4ccccc34)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 4/20 0.34
▸ PLA2G2A P14555 3/20 0.34
▸ PLA2G4A P47712 3/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ PLA2G10 O15496 1/20 0.32
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ ACMSD Q8TDX5 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL19575215 0.94 PRKDC (0.32) PRKDCPLA2G2APLA2G4AALOX5CA12
SCHEMBL15852161 0.94 PLA2G2A (0.35) PLA2G2APLA2G4APLA2G10CYP1A1CYP1A2
SCHEMBL24585962 0.92 PRKDC (0.40) PRKDCPLA2G2APLA2G4AALOX5PLA2G10
SCHEMBL21870291 0.92 PLA2G2A (0.32) PRKDCPLA2G2APLA2G4APLA2G10CA12
SCHEMBL15852141 0.91 CYP1B1 (0.35) PRKDCPLA2G2APLA2G4APLA2G10CYP1A1
SCHEMBL21870467 0.90 CA12 (0.32) PLA2G2APLA2G4ACYP1A1CYP1A2CYP1B1
SCHEMBL15852162 0.89 CYP1B1 (0.36) PRKDCPLA2G2APLA2G4APLA2G10CYP1A1
SCHEMBL24586318 0.88 ALOX5 (0.38) PRKDCPLA2G2APLA2G4AALOX5CYP1A2
SCHEMBL24586317 0.88 ALOX5 (0.38) PRKDCPLA2G2APLA2G4AALOX5CYP1A2
SCHEMBL22818455 0.88 ALOX5 (0.38) PRKDCPLA2G2APLA2G4AALOX5PLA2G10

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-20220285625-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2022-09-08 — — US disclosed
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