SCHEMBL26940804

SCHEMBL26940804

Cc1cc(NC[C@H](C)O)nnc1-c1ccc2sccc2c1O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.52
CHRM1 P11229 1/20 0.35
IL1B P01584 5/20 0.32
TNF P01375 2/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL26940757 1.00 NLRP3 (0.52) NLRP3CHRM1IL1BTNFKDM4E
SCHEMBL26938426 1.00 NLRP3 (0.52) NLRP3CHRM1IL1BTNFKDM4E
SCHEMBL26940807 0.85 NLRP3 (0.39) NLRP3CHRM1IL1BTNFKDM4E
SCHEMBL26938431 0.85 NLRP3 (0.39) NLRP3CHRM1IL1BTNFKDM4E
SCHEMBL26940810 0.85 NLRP3 (0.39) NLRP3CHRM1IL1BTNFKDM4E
SCHEMBL26938433 0.83 NLRP3 (0.52) NLRP3CHRM1IL1BTNF
SCHEMBL26938423 0.82 NLRP3 (0.51) NLRP3CHRM1
SCHEMBL26938415 0.74 NLRP3 (0.49) NLRP3IL1BKDM4EALDH1A1
SCHEMBL26938399 0.73 NLRP3 (0.62) NLRP3CHRM1IL1BTNF
SCHEMBL26940373 0.73 NLRP3 (0.62) NLRP3CHRM1IL1BTNF

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
EP-4289823-A1 SUBSTITUTED PYRIDAZINE PHENOL DERIVATIVES Medshine Discovery Inc. (CN) 2023-12-13 EP disclosed