SCHEMBL30165233

SCHEMBL30165233

COc1nccc(NCC(=O)NC23CC4CC(CC(C4)C2)C3)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ATM Q13315 1/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
EPHX2 P34913 4/20 0.43
CNR2 P34972 5/20 0.43
FAAH O00519 2/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL23884267 1.00 KMT2A (0.46) KMT2AMEN1ATMRAB9APOLB
SCHEMBL23917009 0.84 PIK3C3 (0.34) KMT2AMEN1ATMRAB9APOLB
SCHEMBL23917151 0.82 RAB9A (0.45) KMT2AMEN1ATMRAB9APOLB
SCHEMBL23917150 0.81 RAB9A (0.44) KMT2AMEN1ATMRAB9APOLB
SCHEMBL23884376 0.74 ALDH1A1 (0.46) KMT2AMEN1ATMRAB9APOLB
SCHEMBL30165247 0.73 PIK3C3 (0.43) KMT2AMEN1RAB9APOLBEPHX2
SCHEMBL1623258 0.68 EPHX2 (0.61) KMT2AMEN1RAB9APOLBEPHX2
SCHEMBL23916972 0.67 ALDH1A1 (0.43) KMT2AMEN1POLBALDH1A1TSHR
SCHEMBL3455269 0.67 MEN1 (0.64) KMT2AMEN1EPHX2CNR2FAAH
SCHEMBL26551523 0.67 TLR8 (0.44) KMT2AMEN1ALDH1A1TSHRMAPK1

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
CN-115916175-A Novel 2-pyrimidinone analogs as potent antiviral agents against alphaviruses 南方研究院 2023-04-04 CN disclosed
EP-4125845-A1 NOVEL 2-PYRIMIDONE ANALOGS AS POTENT ANTIVIRAL AGENTS AGAINST ALPHAVIRUSES Southern Research Institute (US) 2023-02-08 EP disclosed