SCHEMBL29196323

SCHEMBL29196323

CONCc1ccc(Cl)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
WDR5 P61964 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 2/20 0.33
MBOAT4 Q96T53 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL30887508 1.00 PTK2 (0.36) PTK2TDP1WDR5TLR7MAPK1
SCHEMBL8340221 0.79 KDM4E (0.46) PTK2TDP1L3MBTL1MBOAT4
SCHEMBL30842013 0.79 KDM4E (0.46) PTK2TDP1L3MBTL1MBOAT4
SCHEMBL15239848 0.78 GBA1 (0.42) MAPK1RAB9AMBOAT4NPC1TSHR
SCHEMBL12332310 0.76 L3MBTL1 (0.38) PTK2TDP1L3MBTL1KMT2A
SCHEMBL24468090 0.76 PTK2 (0.41) PTK2TDP1MAPK1L3MBTL1MEN1
SCHEMBL14432066 0.76 NPSR1 (0.41) PTK2TDP1WDR5MAPK1L3MBTL1
SCHEMBL30841920 0.76 PTK2 (0.41) PTK2TDP1MAPK1L3MBTL1MEN1
SCHEMBL29196349 0.76 SIRT6 (0.33) MEN1KMT2A
SCHEMBL31351637 0.75 MAOB (0.39) PTK2TDP1L3MBTL1MBOAT4KMT2A

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
CN-117924277-A Oxime ether compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-04-26 CN disclosed