SCHEMBL29467784

SCHEMBL29467784

CCCCc1cccc(O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.50
BID P55957 6/20 0.48
MCL1 Q07820 6/20 0.48
BCL2L1 Q07817 5/20 0.48
BAK1 Q16611 5/20 0.48
KAT8 Q9H7Z6 3/20 0.48
SAE1 Q9UBE0 2/20 0.48
EP300 Q09472 2/20 0.48
KAT5 Q92993 2/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
KAT2A Q92830 1/20 0.48
KAT2B Q92831 1/20 0.48
IAPP P10997 1/20 0.44
F7 P08709 3/20 0.43
F3 P13726 3/20 0.43
ELANE P08246 1/20 0.43
CTSG P08311 1/20 0.43
MMP2 P08253 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL27491325 1.00 GPR35 (0.50) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL28465048 0.95 BID (0.54) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL29699758 0.94 BID (0.56) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL28899683 0.94 BID (0.56) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL8937848 0.94 BID (0.56) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL28319986 0.94 BID (0.56) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL28671609 0.90 GPR35 (0.53) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL30818240 0.90 GPR35 (0.53) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL1123246 0.85 TYR (0.46) GPR35BIDMCL1BCL2L1BAK1
SCHEMBL4963591 0.84 GPR35 (0.58) GPR35IAPPMAPTALOX15

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
WO-2022078494-A1 HERBICIDE MIXTURE, HERBICIDAL COMPOSITION, METHOD FOR PREVENTING UNDESIRED VEGETATION AND KIT 安道麦阿甘有限公司 2022-04-21 WO disclosed