SCHEMBL9551793

SCHEMBL9551793

O=C1Nc2ccccc2CC1=Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.50
▸ IDO1 P14902 2/20 0.50
▸ AHR P35869 1/20 0.50
▸ PDK2 Q15119 1/20 0.50
▸ NPC1 O15118 5/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HK1 P19367 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ GALK1 P51570 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.42
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41

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
SCHEMBL9056376 0.79 AHR (0.53) LRRK2AHRPDK2NPC1KMT2A
SCHEMBL9056372 0.79 AHR (0.53) LRRK2AHRPDK2NPC1KMT2A
SCHEMBL1816980 0.72 AHR (0.63) LRRK2AHRPDK2NPC1KMT2A
SCHEMBL6249305 0.71 AHR (0.61) LRRK2AHRPDK2NPC1KMT2A
Oxindole SCHEMBL29260649 0.70 AHR (0.95) AHRPDK2NPC1KMT2AMAPT
SCHEMBL4356821 0.69 AHR (0.59) LRRK2AHRPDK2NPC1KMT2A
SCHEMBL2087698 0.69 TDP2 (0.66) LRRK2AHRPDK2NPC1KMT2A
SCHEMBL2217338 0.68 NPC1 (0.55) AHRPDK2NPC1KMT2AMAPT
SCHEMBL3456349 0.68 NPC1 (0.55) AHRPDK2NPC1KMT2AMAPT
Oxindole SCHEMBL19504 0.68 AHR (1.00) AHRPDK2NPC1KMT2AMAPT

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
JP-5216227-A — — None — — JP disclosed
JP-H05216227-A PHOTOPOLYMERIZABLE COMPOSITION KONICA CORP 1993-08-27 — — JP disclosed
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