SCHEMBL9056306

SCHEMBL9056306

O=S(=O)(Oc1ccccc1Cl)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TDP1 Q9NUW8 3/20 0.56
MAPT P10636 5/20 0.50
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PARL Q9H300 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD11B1 P28845 1/20 0.42
HSD17B3 P37058 1/20 0.42
HTR6 P50406 1/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 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
SCHEMBL680069 0.87 ALDH1A1 (0.53) ALDH1A1TDP1MAPTMETAP2METAP1
SCHEMBL680012 0.87 ALDH1A1 (0.53) ALDH1A1TDP1MAPTMETAP2METAP1
SCHEMBL2236990 0.85 LMNA (0.56) ALDH1A1MAPTCYP1A2GAAKMT2A
SCHEMBL7538716 0.85 HSD11B1 (0.49) ALDH1A1TDP1MAPTMETAP2METAP1
SCHEMBL31272384 0.85 ALDH1A1 (0.68) ALDH1A1TDP1MAPTMETAP2METAP1
SCHEMBL7536348 0.85 HPGD (0.54) ALDH1A1MAPTGAACYP2C19KMT2A
SCHEMBL7539915 0.83 ALDH1A1 (0.53) ALDH1A1TDP1MAPTCYP1A2GAA
SCHEMBL29350285 0.82 TDP1 (0.59) ALDH1A1TDP1MAPTMETAP2METAP1
SCHEMBL435809 0.82 TDP1 (0.59) ALDH1A1TDP1MAPTMETAP2METAP1
SCHEMBL11568189 0.80 KMT2A (0.50) ALDH1A1MAPTGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024017788-A1 SOLID FORM OF A HETEROCYCLIC AMIDE DERIVATIVE SYNGENTA CROP PROTECTION AG (CH) 2024-01-25 WO disclosed
CN-104024225-A Pesticidal compounds SYNGENTA PARTICIPATIONS AG 2014-09-03 CN disclosed
WO-1996011283-A1 COMPOSITIONS AND METHODS FOR DETECTION OF 2,4-DICHLOROPHENOXYACETIC ACID AND RELATED COMPOUNDS IDAHO RESEARCH FOUNDATION, INC. (US) 1996-04-18 WO disclosed