SCHEMBL25459265

SCHEMBL25459265

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6cc(-c7ccc8c(c7)sc7cccc(-c9ccccc9)c78)ccc6c45)c3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.35
F9 P00740 1/20 0.32
HCRTR1 O43613 2/20 0.32
SLC9A1 P19634 1/20 0.32
PRKDC P78527 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
BACE1 P56817 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL25459283 0.98 LIMK1 (0.33) LIMK1F9HCRTR1PRKDCADORA2A
SCHEMBL25459179 0.95 LIMK1 (0.32) LIMK1F9HCRTR1SLC9A1HSD17B1
SCHEMBL25459194 0.95 LIMK1 (0.32) LIMK1HCRTR1PRKDCADORA2AADORA1
SCHEMBL25459335 0.94 PRKDC (0.36) LIMK1F9HCRTR1SLC9A1PRKDC
SCHEMBL25459285 0.94 LIMK1 (0.38) LIMK1F9HCRTR1SLC9A1PRKDC
SCHEMBL22760673 0.94 HCRTR1 (0.36) LIMK1HCRTR1PRKDCADORA2AADORA1
SCHEMBL25645754 0.94 HCRTR1 (0.36) LIMK1F9HCRTR1SLC9A1PRKDC
SCHEMBL26196569 0.93 PRKDC (0.36) LIMK1F9HCRTR1SLC9A1PRKDC
SCHEMBL25851956 0.93 HCRTR1 (0.35) LIMK1F9HCRTR1SLC9A1MEN1
SCHEMBL23820918 0.92 PRKDC (0.36) LIMK1F9HCRTR1SLC9A1PRKDC

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