SCHEMBL9864000

SCHEMBL9864000

C=C(C(N)=O)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.52
PARP15 Q460N3 2/20 0.52
KMT2A Q03164 2/20 0.52
PARP14 Q460N5 2/20 0.52
ALDH1A1 P00352 1/20 0.52
PARP16 Q8N5Y8 1/20 0.52
PARP11 Q9NR21 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MMP1 P03956 2/20 0.46
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.43
CHEK2 O96017 1/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42

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
SCHEMBL1381906 0.89 CES2 (0.52) ALDH1A1MAOAMAOBMAPTRAB9A
SCHEMBL9865063 0.84 PARP10 (0.67) PARP10PARP15KMT2APARP14ALDH1A1
SCHEMBL5781080 0.83 MAP4K4 (0.50) ALDH1A1CHEK2MAPTRAB9A
SCHEMBL9864943 0.82 MMP13 (0.54) PARP10PARP15KMT2APARP14ALDH1A1
SCHEMBL18403022 0.81 MAOA (0.54) PARP10PARP15KMT2APARP14ALDH1A1
SCHEMBL1989785 0.81 PARP10 (0.79) PARP10PARP15KMT2APARP14ALDH1A1
SCHEMBL22407012 0.79 HPGD (0.50) PARP10KMT2AALDH1A1MMP1HPGD
Dimethylamine SCHEMBL9864604 0.78 PARP10 (0.59) PARP10PARP15KMT2APARP14ALDH1A1
SCHEMBL10765485 0.78 CES2 (0.55) PARP10KMT2AALDH1A1MEN1MAPT
SCHEMBL1450228 0.78 PARP10 (0.39) PARP10PARP15KMT2APARP14ALDH1A1

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-0409565-A1 Rubber composition useful for tires SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-23 EP disclosed