SCHEMBL20117211

SCHEMBL20117211

N=Cc1ccc(-c2noc(C3CN(C=O)C3)n2)cc1NC1COC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KIT P10721 14/20 0.36
GRM5 P41594 5/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL20676529 0.91 SMO (0.39) KITNR1H4
SCHEMBL20116879 0.82 MAPT (0.36)
SCHEMBL20676712 0.82 GRM5 (0.40) GRM5
SCHEMBL20116751 0.81 LMNA (0.53) NR1H4
SCHEMBL20676713 0.80 FAAH (0.40) KITGRM5
SCHEMBL20117300 0.80 FAAH (0.39) KITGRM5
SCHEMBL20676467 0.79 SMO (0.43) KITNR1H4
SCHEMBL20116823 0.78 SMN1; SMN2 (0.46)
SCHEMBL20116745 0.77 HSD11B1 (0.51) GRM5
SCHEMBL20116723 0.77 LMNA (0.42)

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-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed