SCHEMBL30745155

SCHEMBL30745155

COc1cccc(-n2ncccc2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.50
ALDH1A1 P00352 5/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 3/20 0.48
HPGD P15428 3/20 0.48
S1PR4 O95977 2/20 0.48
LMNA P02545 2/20 0.48
S1PR1 P21453 2/20 0.48
KDM4E B2RXH2 2/20 0.47
KAT2B Q92831 1/20 0.47
CYP1A2 P05177 1/20 0.47
NOTUM Q6P988 1/20 0.46

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
SCHEMBL29151112 1.00 MGLL (0.50) MGLLALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL10459035 0.80 NPC1 (0.51) MGLLALDH1A1RAB9AMAPTKMT2A
SCHEMBL29151131 0.78 CA12 (0.49) MGLLALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL29488646 0.78 CA12 (0.49) MGLLALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL18770625 0.77 NPBWR1 (0.43) ALDH1A1SMN1; SMN2MAPTNPBWR1MCHR1
SCHEMBL30745148 0.77 CA12 (0.47) MGLLALDH1A1KMT2ANPBWR1MEN1
SCHEMBL29151050 0.77 CA12 (0.47) MGLLALDH1A1KMT2ANPBWR1MEN1
SCHEMBL29488639 0.77 CA12 (0.47) MGLLALDH1A1MAPTKMT2AMEN1
SCHEMBL544605 0.75 POLB (0.58) MGLLALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL18770698 0.75 RAB9A (0.60) MGLLALDH1A1RAB9ASMN1; SMN2MAPT

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-117510470-A Pyridazinone compounds and application thereof 暨南大学 2024-02-06 CN disclosed