SCHEMBL31493447

SCHEMBL31493447

O=C(O)c1nc2ccc(Cl)nc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
P2RY1 P47900 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
DPP4 P27487 1/20 0.33
MAPT P10636 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL19899747 1.00 HRH3 (0.37) HRH3P2RY1IRAK4NAPRTKMT2A
Lithium Ion SCHEMBL32686202 0.83 HRH3 (0.35) HRH3P2RY1IRAK4
SCHEMBL31229583 0.81 MAPT (0.35) KMT2AMEN1ALDH1A1NPSR1KDM4E
SCHEMBL31515643 0.80 MGAM (0.43) KMT2AMEN1ALDH1A1NPSR1KDM4E
SCHEMBL1661700 0.77 MAPT (0.41) KMT2AMEN1ALDH1A1NPSR1KDM4E
SCHEMBL30807050 0.77 MAPT (0.41) KMT2AMEN1ALDH1A1NPSR1KDM4E
SCHEMBL31119786 0.75 IRAK4 (0.43) P2RY1IRAK4KMT2AMEN1ALDH1A1
SCHEMBL19899703 0.75 BACE1 (0.38) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL22392573 0.75 IRAK4 (0.43) P2RY1IRAK4KMT2AMEN1ALDH1A1
SCHEMBL1661549 0.73 SMN1; SMN2 (0.40) HRH3IRAK4KMT2AMEN1ALDH1A1

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
CN-119948036-A Compounds for the treatment of huntington's disease 渤健马萨诸塞州股份有限公司 2025-05-06 CN disclosed