SCHEMBL30454517

SCHEMBL30454517

C1=Cc2cnccc2CO1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL8469341 1.00 SIGMAR1 (0.38) SIGMAR1CHRNB2CHRNA4
SCHEMBL8466136 0.84 SIGMAR1 (0.38) SIGMAR1CHRNB2CHRNA4
SCHEMBL22123483 0.74 ROCK2 (0.36)
SCHEMBL6789771 0.70 PARP1 (0.39)
SCHEMBL846505 0.70 PARP1 (0.39)
SCHEMBL15902739 0.70 PARP1 (0.39)
Hydrochloric Acid SCHEMBL9670228 0.68 PARP1 (0.42)
SCHEMBL4624522 0.68
SCHEMBL736446 0.67
SCHEMBL23330242 0.66

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
WO-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed