SCHEMBL3478147

SCHEMBL3478147

O=Cc1cccn1-c1nccc(Br)c1Br

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GAA P10253 2/20 0.38
TRIM24 O15164 2/20 0.37
TRIM33 Q9UPN9 2/20 0.37
CYP1A2 P05177 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.35
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
S1PR4 O95977 1/20 0.32

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
SCHEMBL951211 0.83 ALDH1A1 (0.54) ALDH1A1ATMKDM4EGAATRIM24
SCHEMBL28802572 0.73 ALDH1A1 (0.46) ALDH1A1ATMKDM4EGAATRIM24
SCHEMBL29728418 0.73 ALDH1A1 (0.46) ALDH1A1ATMKDM4EGAATRIM24
SCHEMBL950454 0.73 ALDH1A1 (0.46) ALDH1A1ATMKDM4EGAATRIM24
SCHEMBL950165 0.71 ALDH1A1 (0.69) ALDH1A1ATMKDM4EGAATRIM24
SCHEMBL950862 0.70 ALDH1A1 (0.43) ALDH1A1ATMKDM4EGAAS1PR4
SCHEMBL951375 0.70 EPHX2 (0.44) ALDH1A1ATMKDM4EGAA
SCHEMBL950715 0.69 KMT2A (0.56) ALDH1A1ATMCYP1A2L3MBTL1POLB
SCHEMBL1321565 0.68 GAA (0.58) ALDH1A1ATMKDM4EGAATRIM24
SCHEMBL18199873 0.68 ALDH1A1 (0.51) ALDH1A1ATMKDM4EGAATRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251336-A1 Hydrazide compounds as intermediates of pesticides Sumitomo Chemical Company, Limited (JP) 2010-11-17 EP disclosed