SCHEMBL22012403

SCHEMBL22012403

Cc1c(C(C)C)ccc(C#N)c1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.36
TSHR P16473 1/20 0.34
KDM5A P29375 3/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 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
SCHEMBL25022494 0.84 AR (0.39) ARTSHRKDM5AMAOAMAOB
SCHEMBL18999988 0.83 AR (0.35) ARTSHRKDM5AMAOAMAOB
SCHEMBL13797363 0.83 AR (0.45) ARTSHRKDM5AMAOAMAOB
SCHEMBL13097701 0.78 AR (0.49) AR
SCHEMBL14116511 0.78 AR (0.38) ARTSHRKDM5A
SCHEMBL30791049 0.78 AR (0.35) ARKDM5AMAOAMAOBIMPDH2
SCHEMBL20681127 0.78 AR (0.35) ARKDM5AMAOAMAOBIMPDH2
SCHEMBL19475486 0.78 KDM4E (0.34) ARKDM5AMAOAMAOBIMPDH2
SCHEMBL30567325 0.78 KDM4E (0.34) ARKDM5AMAOAMAOBIMPDH2
SCHEMBL21535431 0.76 MAOA (0.36) ARKDM5AMAOAMAOB

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