SCHEMBL21277147

SCHEMBL21277147

O=NB(O)c1cccc2oc3c(-c4cccc(-c5ccccc5)c4)cccc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 11/20 0.42
▸ ALOX5 P09917 2/20 0.42
▸ GGPS1 O95749 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ BRD2 P25440 2/20 0.37
▸ BRD3 Q15059 2/20 0.37
▸ CDC14B O60729 1/20 0.36
▸ CDC14A Q9UNH5 1/20 0.36
▸ PLA2G2A P14555 1/20 0.35
▸ PLA2G4A P47712 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ PIK3C2A O00443 1/20 0.35
▸ PIK3R2 O00459 1/20 0.35
▸ PIK3C2B O00750 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL31286356 0.86 ALOX5 (0.47) PRKDCALOX5GGPS1ALDH1A1BRD4
SCHEMBL17252607 0.86 ALOX5 (0.47) PRKDCALOX5GGPS1ALDH1A1BRD4
SCHEMBL24428129 0.83 PRKDC (0.43) PRKDCALOX5GGPS1ALDH1A1BRD4
SCHEMBL23824073 0.78 ALOX5 (0.44) PRKDCALOX5GGPS1ALDH1A1BRD4
SCHEMBL22309183 0.77 ALOX5 (0.57) PRKDCALOX5GGPS1ALDH1A1KDM4E
SCHEMBL26444601 0.76 ALOX5 (0.49) PRKDCALOX5GGPS1ALDH1A1BRD4
SCHEMBL21120883 0.76 MAOA (0.44) ALDH1A1CDC14BCDC14AKDM4ESMN1; SMN2
SCHEMBL24090432 0.75 ALOX5 (0.51) PRKDCALOX5GGPS1ALDH1A1CDC14B
SCHEMBL29892450 0.74 ALOX5 (0.65) PRKDCALOX5GGPS1CDC14BCDC14A
SCHEMBL18698089 0.74 ALOX5 (0.65) PRKDCALOX5GGPS1CDC14BCDC14A

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-3140302-B1 MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES MERCK PATENT GMBH (DE) 2019-08-21 — — EP disclosed
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