SCHEMBL30640422

SCHEMBL30640422

COC(=O)CCC(=O)c1cncc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 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
SCHEMBL26673198 1.00 HCAR2 (0.50) HCAR2L3MBTL1KMT2AMEN1TSHR
SCHEMBL26673292 0.81 HCAR2 (0.50) HCAR2L3MBTL1KMT2AMEN1TSHR
SCHEMBL30640411 0.81 HCAR2 (0.50) HCAR2L3MBTL1KMT2AMEN1TSHR
SCHEMBL31585402 0.81 KDM4E (0.53) HCAR2L3MBTL1TSHRMAPTHTT
SCHEMBL30640375 0.80 HCAR2 (0.61) HCAR2KMT2AMEN1SMYD3ALDH1A1
SCHEMBL26673315 0.80 HCAR2 (0.61) HCAR2KMT2AMEN1SMYD3ALDH1A1
SCHEMBL8412985 0.77 ALDH1A1 (0.44) L3MBTL1KMT2AMAPTALDH1A1MAPK1
SCHEMBL1436200 0.76 ATM (0.65) HCAR2SMYD3CYP11B1CYP11B2ATM
SCHEMBL14691488 0.75 HCAR2 (0.54) HCAR2KMT2ASMYD3ATMMAPT
SCHEMBL9263357 0.75 KMT2A (0.60) L3MBTL1KMT2AMEN1TSHRMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4526300-A1 RIPK1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2025-03-26 EP disclosed
WO-2023225041-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-11-23 WO disclosed