SCHEMBL25459199

SCHEMBL25459199

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-c7cccc8sc9cccc(-c%10ccccc%10)c9c78)ccc6c45)n3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.37
F9 P00740 1/20 0.34
SLC9A1 P19634 2/20 0.33
PRKDC P78527 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
TSHR P16473 2/20 0.32
BACE1 P56817 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ALOX15 P16050 1/20 0.32
ADORA2B P29275 1/20 0.32
ALDH1A1 P00352 4/20 0.31
MAPT P10636 4/20 0.31
HPGD P15428 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
HCRTR1 O43613 1/20 0.31
KDM4E B2RXH2 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL25459285 0.95 LIMK1 (0.38) LIMK1F9SLC9A1PRKDCADORA2A
SCHEMBL25459179 0.93 LIMK1 (0.32) LIMK1F9SLC9A1ADORA2AADORA1
SCHEMBL23820294 0.93 PRKDC (0.35) LIMK1F9SLC9A1PRKDCADORA2A
SCHEMBL25459194 0.93 LIMK1 (0.32) LIMK1PRKDCADORA2AADORA1HCRTR1
SCHEMBL23820918 0.93 PRKDC (0.36) LIMK1F9SLC9A1PRKDCADORA2A
SCHEMBL24217002 0.93 PRKDC (0.36) LIMK1F9SLC9A1PRKDCADORA2A
SCHEMBL25645871 0.93 HCRTR1 (0.36) LIMK1F9SLC9A1PRKDCADORA2A
SCHEMBL25458837 0.93 LIMK1 (0.40) LIMK1F9SLC9A1PRKDCADORA2A
SCHEMBL25459189 0.92 PIM3 (0.33) LIMK1F9SLC9A1PRKDCHCRTR1
SCHEMBL23823761 0.92 PRKDC (0.40) LIMK1F9SLC9A1PRKDCTSHR

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