SCHEMBL14284231

SCHEMBL14284231

COc1cc(Br)nc(C(C)=O)c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
THRB P10828 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
BLM P54132 1/20 0.46
SMPD1 P17405 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
FAAH O00519 1/20 0.44
CNR2 P34972 1/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
APP P05067 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4684362 0.91 MEN1 (0.49) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL6372652 0.89 LMNA (0.55) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL4699056 0.89 MEN1 (0.47) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL14458094 0.89 MAOB (0.46) MEN1KMT2ASMPD1HDAC1HDAC8
SCHEMBL14458101 0.86 HPGD (0.48) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL14458100 0.83 PTPN1 (0.48) MEN1KMT2ASMPD1HDAC1HDAC8
SCHEMBL14284319 0.83 MEN1 (0.46) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL6373978 0.82 LMNA (0.56) MEN1KMT2ATHRBALDH1A1MAPT
SCHEMBL14284322 0.82 MEN1 (0.47) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL6373133 0.82 THRA (0.47) MEN1KMT2ATHRBKDM4EALDH1A1

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
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed