SCHEMBL1230952

SCHEMBL1230952

CCCCCc1nc(Br)c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
GPR84 Q9NQS5 5/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37

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
SCHEMBL28463361 0.98 ALDH1A1 (0.44) ALDH1A1PKMHPGDGPR84HRH3
Ammonia Solution, Strong SCHEMBL28347379 0.96 ALDH1A1 (0.43) ALDH1A1PKMHPGDGPR84HRH3
SCHEMBL8434648 0.94 HRH3 (0.46) ALDH1A1PKMHPGDGPR84HRH3
SCHEMBL5897906 0.78 ALDH1A1 (0.43) ALDH1A1PKMHPGDGPR84
SCHEMBL1063754 0.78 KCNH2 (0.47) ALDH1A1PKMHPGDGPR84PI4KA
SCHEMBL5216842 0.77
SCHEMBL24880067 0.77 ALDH1A1 (0.46) ALDH1A1PKMHPGDGPR84
SCHEMBL83498 0.77 ALDH1A1 (0.46) ALDH1A1PKMHPGDGPR84
SCHEMBL730079 0.77 KCNH2 (0.50) ALDH1A1PKMHPGDGPR84
SCHEMBL6060906 0.77 ALDH1A1 (0.42) ALDH1A1PKMHPGDGPR84PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2461688-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-06-13 EP disclosed
EP-2461687-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-06-13 EP disclosed
WO-2011017513-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2011-02-10 WO disclosed
WO-2011017504-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2011-02-10 WO disclosed
EP-2247603-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2010-11-10 EP disclosed
WO-2009102736-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2009-08-20 WO disclosed