SCHEMBL8804658

SCHEMBL8804658

O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.82
NPSR1 Q6W5P4 1/20 0.82
RXFP1 Q9HBX9 1/20 0.82
KCNMA1 Q12791 1/20 0.69
SERPINE1 P05121 2/20 0.64
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
ALDH1A1 P00352 3/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
MAPT P10636 4/20 0.60
CYP1A2 P05177 1/20 0.60
HSP90AA1 P07900 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
APOBEC3G Q9HC16 1/20 0.60
GRM4 Q14833 1/20 0.59
LMNA P02545 1/20 0.58

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
SCHEMBL3793263 0.88 KCNMA1 (0.76) KDM4ENPSR1RXFP1KCNMA1SERPINE1
SCHEMBL8819672 0.86 MEN1 (0.82) KDM4ENPSR1RXFP1KCNMA1SERPINE1
SCHEMBL9362200 0.85 HDAC1 (0.68) KDM4ENPSR1RXFP1KCNMA1MEN1
Iodide SCHEMBL30758629 0.85 MEN1 (0.80) KDM4ENPSR1RXFP1KCNMA1SERPINE1
SCHEMBL683708 0.85 KDM4E (0.70) KDM4ENPSR1RXFP1MEN1KMT2A
SCHEMBL3783679 0.85 GRM4 (0.79) KDM4ENPSR1RXFP1MEN1KMT2A
SCHEMBL3528846 0.85 NPSR1 (0.61) KDM4ENPSR1RXFP1KCNMA1SERPINE1
SCHEMBL3529060 0.85 MAPT (0.82) KDM4ENPSR1RXFP1KCNMA1MEN1
SCHEMBL1495948 0.85 KCNMA1 (0.77) KDM4ENPSR1RXFP1KCNMA1SERPINE1
SCHEMBL11512341 0.85 EPHX1 (0.80) KDM4ENPSR1RXFP1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775110-A1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 1997-05-28 EP claimed
WO-1996004242-A1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-15 WO claimed
CN-116751137-A Method for preparing chloro aromatic compound by photo-induced nitroarene denitration chlorination 华中师范大学 2023-09-15 CN disclosed
CN-112430216-A Preparation method of benzimidazole compound in pesticide and pesticide 苏州帆木云智能科技有限公司 2021-03-02 CN disclosed