SCHEMBL23978663

SCHEMBL23978663

C/C=C\c1cnc(C(C)C)nc1/C=C\C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.31

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
SCHEMBL23978969 0.88
SCHEMBL19362478 0.80
SCHEMBL19675604 0.75 NOS2 (0.33)
SCHEMBL22645170 0.73
SCHEMBL14187617 0.70 LMNA (0.31)
SCHEMBL22045471 0.64 NOS2 (0.33)
SCHEMBL22255221 0.64
SCHEMBL22002024 0.64 EGFR (0.32)
SCHEMBL17677246 0.63 POLB (0.39)
SCHEMBL16442100 0.63 NOS2 (0.31)

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-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed