SCHEMBL4557326

SCHEMBL4557326

CCOCC(Cl)(C(N)=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.39
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.37
KCNN4 O15554 5/20 0.37
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
Bromide SCHEMBL5138476 0.98 MAPT (0.43) MAPTKMT2ACYP1A2HTTATM
SCHEMBL2032135 0.81 MAPT (0.52) MAPTKMT2ACYP1A2HTTKCNN4
SCHEMBL15228211 0.75 MAPT (0.48) MAPTKMT2ACYP1A2HTTKCNN4
Water SCHEMBL28078270 0.74 MAPT (0.47) MAPTKMT2ACYP1A2HTTKCNN4
SCHEMBL7067742 0.73 MAPK1 (0.41) KMT2ACYP1A2KCNN4ALDH1A1KDM4E
SCHEMBL29097238 0.73 KMT2A (0.42) MAPTKMT2ACYP1A2HTTKCNN4
SCHEMBL24781345 0.71 ALDH1A1 (0.40) MAPTKMT2AHTTKCNN4CYP2C19
SCHEMBL28205550 0.71 CYP2C19 (0.43) MAPTKMT2ACYP1A2KCNN4CHRM2
SCHEMBL27587403 0.71 KDM4E (0.44) MAPTKMT2AHTTLMNAALDH1A1
SCHEMBL3827840 0.70 ALDH1A1 (0.46) KMT2ACYP1A2HTTKCNN4CHRM2

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-2008096119-A1 SALTS 669 ASTRAZENECA AB (SE) 2008-08-14 WO claimed
EP-2124941-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST Argenta Discovery Limited (GB) 2009-12-02 EP disclosed
WO-2008096126-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed