SCHEMBL31589613

SCHEMBL31589613

O=C(CCl)NNC(=O)c1nccc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
AGTR1 P30556 1/20 0.48
KDM4E B2RXH2 4/20 0.38
HTT P42858 4/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
HIF1A Q16665 1/20 0.33
P2RX7 Q99572 1/20 0.33
ALPL P05186 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
KMO O15229 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
SCHEMBL31589679 0.83 ALDH1A1 (0.38) ALDH1A1MAPTGAAHPGDAGTR1
SCHEMBL31589417 0.78 P2RX7 (0.57) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL282078 0.75 L3MBTL1 (0.38) GAAHPGDKDM4ESMN1; SMN2P2RX7
SCHEMBL31589783 0.73 ALDH1A1 (0.41) ALDH1A1MAPTGAAHPGDAGTR1
SCHEMBL31646956 0.72 KDM4E (0.40) ALDH1A1MAPTGAAHPGDAGTR1
SCHEMBL3120426 0.72 PRKCI (0.51) ALDH1A1MAPTLMNA
SCHEMBL2773643 0.70 KMO (0.41) ALDH1A1GAALMNASMN1; SMN2KMO
SCHEMBL287227 0.70 KMO (0.58) KMO
SCHEMBL930959 0.70 TDP1 (0.58) ALDH1A1MAPTGAAKDM4EHTT
SCHEMBL31589364 0.69 ALDH1A1 (0.38) ALDH1A1MAPTGAAHPGDAGTR1

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-120040437-A Novel heterocyclic compound and pharmaceutical composition comprising same 株式会社大熊制药 2025-05-27 CN disclosed