SCHEMBL22657992

SCHEMBL22657992

CC(C)=CC(=O)N1[CH]CCC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1206985 0.76
SCHEMBL22657774 0.76
SCHEMBL22657863 0.75
SCHEMBL22657994 0.72
SCHEMBL22657819 0.71
SCHEMBL771963 0.70
SCHEMBL22657793 0.69 MAPK1 (0.32) KMT2A
SCHEMBL5025313 0.69
SCHEMBL3954336 0.68 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2
SCHEMBL18228341 0.68 SMN1; SMN2 (0.32) MEN1KMT2ASMN1; 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-2020228637-A1 SUBSTITUTED 1-AMINO-1H-IMIDAZOLE-5-CARBOXAMIDE AS BRUTON'S TYROSINE KINASE INHIBITORS HENAN NORMAL UNIVERSITY (CN) 2020-11-19 WO disclosed