Magnesium

Magnesium

SCHEMBL30697198

COc1cc(Cl)ccc1Br.[Mg]

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.48
AMY1A P0DUB6 4/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HTR2A P28223 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
STAT3 P40763 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM4 Q14833 1/20 0.39

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
SCHEMBL29359707 0.98 TRPV4 (0.50) TRPV4AMY1AMAPTNPC1HSP90AA1
SCHEMBL585492 0.98 TRPV4 (0.50) TRPV4AMY1AMAPTNPC1HSP90AA1
SCHEMBL30259322 0.83 TRPV4 (0.38) TRPV4AMY1AMAPTNPC1HSP90AA1
SCHEMBL29958505 0.80 ALDH1A1 (0.52) TRPV4AMY1AMAPTNPC1HTR2A
SCHEMBL929274 0.80 ALDH1A1 (0.52) TRPV4AMY1AMAPTNPC1HTR2A
SCHEMBL16282203 0.79 CRHR1 (0.44) TRPV4AMY1AMAPTNPC1HSP90AA1
SCHEMBL18000003 0.79 CRHR1 (0.44) TRPV4AMY1AMAPTNPC1HSP90AA1
SCHEMBL20526464 0.78 ALDH1A1 (0.50) TRPV4AMY1AMAPTNPC1HTR2A
SCHEMBL2127233 0.77 TRPV4 (0.55) TRPV4MAPTALDH1A1LMNAMEN1
SCHEMBL29636402 0.77 TRPV4 (0.55) TRPV4MAPTALDH1A1LMNAMEN1

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
CN-117510495-A Pyridazine compounds for inhibiting NLRP3 万特斯治疗美国公司 2024-02-06 CN disclosed
CN-117500792-A Pyridazine compounds for inhibiting NLRP3 万特斯治疗美国公司 2024-02-02 CN disclosed