SCHEMBL27451925

SCHEMBL27451925

CNC(=O)/C=C\CN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
BTK Q06187 2/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
EGFR P00533 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
GLA P06280 1/20 0.38
ERBB2 P04626 1/20 0.38
CDK7 P50613 1/20 0.37
CDK13 Q14004 1/20 0.37

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
SCHEMBL14079971 1.00 MEN1 (0.41) MEN1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL27451922 1.00 MEN1 (0.41) MEN1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL15600964 0.85 KDM4E (0.41) KDM4EBTKEGFRALDH1A1ERBB2
SCHEMBL14079974 0.85 MEN1 (0.44) MEN1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL20927103 0.85 HTT (0.49) MEN1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL24371639 0.84 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL23336391 0.84 KDM4E (0.43) MEN1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL16665574 0.83 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL15600841 0.83 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL15601151 0.83 CHRNB2 (0.42) MEN1KMT2ABTKEGFRALDH1A1

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