SCHEMBL27451649

SCHEMBL27451649

CC(C)(C)CNC(=O)C=CCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CNR2 P34972 2/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDK7 P50613 1/20 0.36
CDK13 Q14004 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
BTK Q06187 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.35
EGFR P00533 2/20 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
SCHEMBL27451650 1.00 MEN1 (0.42) MEN1KMT2ASMN1; SMN2KDM4ECNR2
SCHEMBL20927103 0.83 HTT (0.49) MEN1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL15600841 0.82 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL14079971 0.81 MEN1 (0.41) MEN1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL27451922 0.81 MEN1 (0.41) MEN1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL27451925 0.81 MEN1 (0.41) MEN1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL19669736 0.79 MEN1 (0.45) MEN1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL19442310 0.77 MEN1 (0.43) MEN1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL24371639 0.76 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL23336391 0.76 KDM4E (0.43) MEN1KMT2ASMN1; SMN2KDM4EMAPK1

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-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed