SCHEMBL25458667

SCHEMBL25458667

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)oc4c(-c6ccc(-c7ccc8c(c7)sc7ccccc78)cc6)cccc45)c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.39
PRKDC P78527 5/20 0.36
F9 P00740 1/20 0.34
SLC9A1 P19634 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.32
GGPS1 O95749 1/20 0.32
LIMK1 P53667 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
ESR2 Q92731 1/20 0.32
PIM3 Q86V86 1/20 0.32

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
SCHEMBL23913451 0.97 ALOX5 (0.43) ALOX5PRKDCF9SLC9A1MMP12
SCHEMBL23913402 0.96 ALOX5 (0.44) ALOX5PRKDCF9MMP12MMP13
SCHEMBL25852001 0.96 ALOX5 (0.44) ALOX5PRKDCF9MMP12MMP13
SCHEMBL24318019 0.95 ALOX5 (0.41) ALOX5PRKDCF9SLC9A1MMP12
SCHEMBL24216748 0.95 ALOX5 (0.38) ALOX5PRKDCF9SLC9A1PTGES2
SCHEMBL24217309 0.95 ALOX5 (0.43) ALOX5PRKDCF9SLC9A1PTGES2
SCHEMBL24264014 0.94 ALOX5 (0.40) ALOX5PRKDCF9SLC9A1MMP12
SCHEMBL26193702 0.94 ALOX5 (0.37) ALOX5PRKDCF9PTGES2GGPS1
SCHEMBL25458655 0.94 ALOX5 (0.39) ALOX5PRKDCF9SLC9A1MMP12
SCHEMBL23227560 0.94 ALOX5 (0.39) ALOX5PRKDCF9SLC9A1MMP12

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