SCHEMBL30833982

SCHEMBL30833982

O=C(Cl)c1cc(Cl)nnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP1 P29466 11/20 0.37
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL354023 1.00 ALDH1A1 (0.44) ALDH1A1LMNATDP1RAB9AL3MBTL1
SCHEMBL29412881 0.82 KEAP1 (0.48) ALDH1A1LMNATDP1RAB9AL3MBTL1
SCHEMBL104396 0.82 KEAP1 (0.48) ALDH1A1LMNATDP1RAB9AL3MBTL1
SCHEMBL669037 0.80 CASP1 (0.56) ALDH1A1LMNATDP1RAB9AL3MBTL1
SCHEMBL11508892 0.80 ALDH1A1 (0.43) ALDH1A1LMNATDP1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL6331781 0.80 KEAP1 (0.47) ALDH1A1LMNATDP1RAB9AL3MBTL1
SCHEMBL105936 0.80 ALDH1A1 (0.50) ALDH1A1LMNATDP1RAB9AL3MBTL1
SCHEMBL15687877 0.75 CASP1 (0.58) ALDH1A1LMNATDP1RAB9AL3MBTL1
SCHEMBL3567012 0.75 ALDH1A1 (0.43) ALDH1A1LMNATDP1RAB9AL3MBTL1
SCHEMBL30567603 0.75 ALDH1A1 (0.54) ALDH1A1LMNARAB9AL3MBTL1CASP1

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
WO-2025026556-A1 CROSSLINKERS PREFERE RESINS HOLDING GMBH (DE) 2025-02-06 WO disclosed
CN-117986258-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2024-05-07 CN disclosed