SCHEMBL7939753

SCHEMBL7939753

CSc1ccc(Br)c(Cl)c1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PTPN1 P18031 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL23765127 0.79 ALDH1A1 (0.33) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL6242687 0.74 CCR2 (0.33)
SCHEMBL22891656 0.72 ESR2 (0.42) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL7946243 0.72 MAPT (0.42) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL9448403 0.71 CCR2 (0.31) ALDH1A1MAPTSMN1; SMN2
SCHEMBL31472410 0.71 CCR2 (0.31) ALDH1A1MAPTSMN1; SMN2
SCHEMBL7807437 0.69 CCR2 (0.31)
SCHEMBL23765129 0.69 GABRA1 (0.42) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL7946304 0.69 L3MBTL1 (0.40) LMNA
SCHEMBL2783398 0.69 MAPT (0.39) ALDH1A1MAPTLMNAKDM4EHPGD

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
US-6265606-B1 TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, DOW AGROSCIENCES LLC 2001-07-24 US disclosed
US-6010981-A 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-01-04 US disclosed
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed