SCHEMBL15965504

SCHEMBL15965504

COCCOCCOCCOc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
PTK2B Q14289 1/20 0.47
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 10/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PTPN11 Q06124 3/20 0.40
S1PR3 Q99500 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL15965460 0.91 ALDH1A1 (0.46) KMT2AALDH1A1PTK2BHTTKDM4E
SCHEMBL15965451 0.90 ALDH1A1 (0.41) KMT2AALDH1A1HTTMEN1KDM4E
SCHEMBL15965484 0.88 HTT (0.39) KMT2AALDH1A1HTTMEN1KDM4E
SCHEMBL15965507 0.88 ALDH1A1 (0.49) KMT2AALDH1A1PTK2BMEN1KDM4E
SCHEMBL15965452 0.83 ALDH1A1 (0.46) KMT2AALDH1A1PTK2BHTTMEN1
SCHEMBL1505305 0.82 PTGDR2 (0.55) KMT2AALDH1A1PTK2BKDM4ESMN1; SMN2
SCHEMBL15965494 0.81 ALDH1A1 (0.43) KMT2AALDH1A1PTK2BKDM4ESMN1; SMN2
SCHEMBL15965464 0.80 ALDH1A1 (0.43) KMT2AALDH1A1PTK2BHTTMEN1
SCHEMBL15965472 0.80 ALDH1A1 (0.40) KMT2AALDH1A1PTK2BHTTKDM4E
SCHEMBL15965483 0.80 ALDH1A1 (0.40) ALDH1A1HTTKDM4ESMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9520569-B2 Aryl compounds for application in a highly polar solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-13 US disclosed
US-20140231717-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed