SCHEMBL25459240

SCHEMBL25459240

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-c7cccc(-c8cccc9sc%10ccccc%10c89)c7)ccc6c45)n3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.34
HCRTR1 O43613 1/20 0.33
BRDT Q58F21 1/20 0.32
PLA2G2A P14555 2/20 0.32
PLA2G4A P47712 2/20 0.32
LIMK1 P53667 1/20 0.32
F9 P00740 1/20 0.31
ALOX5 P09917 1/20 0.31
MAP3K8 P41279 2/20 0.31
SLC9A1 P19634 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL23820294 0.97 PRKDC (0.35) PRKDCHCRTR1BRDTPLA2G2APLA2G4A
SCHEMBL22763860 0.97 F9 (0.34) PRKDCHCRTR1BRDTPLA2G2APLA2G4A
SCHEMBL23821285 0.97 BRDT (0.34) PRKDCHCRTR1BRDTPLA2G2APLA2G4A
SCHEMBL25459335 0.97 PRKDC (0.36) PRKDCHCRTR1BRDTPLA2G2APLA2G4A
SCHEMBL24217002 0.97 PRKDC (0.36) PRKDCHCRTR1BRDTLIMK1F9
SCHEMBL26196569 0.96 PRKDC (0.36) PRKDCHCRTR1BRDTLIMK1F9
SCHEMBL26709298 0.95 HCRTR1 (0.33) PRKDCHCRTR1PLA2G2APLA2G4ALIMK1
SCHEMBL23822340 0.95 PRKDC (0.35) PRKDCHCRTR1BRDTLIMK1F9
SCHEMBL25459194 0.95 LIMK1 (0.32) PRKDCHCRTR1LIMK1
SCHEMBL23820918 0.95 PRKDC (0.36) PRKDCHCRTR1BRDTLIMK1F9

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
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed