SCHEMBL31753243

SCHEMBL31753243

COC(=O)c1ccc(C#CCCO)cn1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
CHRM2 P08172 1/20 0.42
GRM5 P41594 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
EGFR P00533 1/20 0.38
MTOR P42345 1/20 0.36

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
SCHEMBL15494738 0.88 MAPK1 (0.53) MAPK1CHRM2GRM5SIGMAR1KDM4E
SCHEMBL2109394 0.84 MAPK1 (0.51) MAPK1CHRM2GRM5SIGMAR1KDM4E
SCHEMBL15494739 0.84 MAPK1 (0.51) MAPK1CHRM2GRM5SIGMAR1KDM4E
SCHEMBL31044611 0.80 MAPK1 (0.57) MAPK1CHRM2GRM5SIGMAR1KDM4E
SCHEMBL16011728 0.80 MAPK1 (0.57) MAPK1CHRM2GRM5SIGMAR1KDM4E
SCHEMBL155925 0.78 MAPK1 (0.54) MAPK1CHRM2GRM5SIGMAR1KDM4E
SCHEMBL31044569 0.78 MAPK1 (0.54) MAPK1CHRM2GRM5SIGMAR1KDM4E
SCHEMBL3458276 0.77 PTPN11 (0.51)
SCHEMBL16011559 0.77 MAPK1 (0.50) MAPK1CHRM2GRM5SIGMAR1KDM4E
SCHEMBL4490117 0.77 MAPK1 (0.53) MAPK1CHRM2GRM5SIGMAR1KDM4E

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-2025262297-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 DARK BLUE THERAPEUTICS LTD (GB) 2025-12-26 WO disclosed