SCHEMBL22012203

SCHEMBL22012203

C=NC(=O)Nc1c(C(C)C)cc(OC(F)F)cc1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.32
CRHR1 P34998 1/20 0.31
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL23481834 0.86 GLA (0.33) ABL1CRHR1POLB
SCHEMBL25033784 0.84 EPHX2 (0.33) ABL1CRHR1POLBMEN1KMT2A
SCHEMBL21892909 0.77 KDM4E (0.33)
SCHEMBL21893002 0.76 ALDH1A1 (0.34) SMN1; SMN2
SCHEMBL20692424 0.76
SCHEMBL20692429 0.76 ALDH1A1 (0.34) SMN1; SMN2
SCHEMBL26018859 0.76 FPR2 (0.30)
SCHEMBL25034232 0.76 CNR2 (0.31)
SCHEMBL30244067 0.76 ALDH1A1 (0.32) POLBSMN1; SMN2
SCHEMBL30244040 0.76 ALDH1A1 (0.32) POLBSMN1; SMN2

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-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed