SCHEMBL8331820

SCHEMBL8331820

COC(=O)c1cc(I)c(OC)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
KDM4E B2RXH2 6/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 5/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 6/20 0.43
MAPT P10636 3/20 0.43
HSD17B10 Q99714 3/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CFTR P13569 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ABL1 P00519 1/20 0.40

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
SCHEMBL16117940 0.86 GAA (0.61) GAAKDM4EPOLBHPGDHTT
SCHEMBL25260035 0.84 ALDH1A1 (0.46) KDM4EHPGDHTTALDH1A1SMN1; SMN2
SCHEMBL2849661 0.84 CFTR (0.45) GAAHPGDHTTALDH1A1SMN1; SMN2
SCHEMBL2476221 0.84 GAA (0.62) GAAKDM4EPOLBHPGDHTT
SCHEMBL24625174 0.82 KDM4E (0.41) GAAKDM4EPOLBHPGDHTT
SCHEMBL17239556 0.81 CFTR (0.43) GAAHPGDHTTALDH1A1SMN1; SMN2
SCHEMBL7948445 0.81 NR4A2 (0.46) GAAKDM4EPOLBHTTALDH1A1
SCHEMBL17742903 0.81 KDM4E (0.47) GAAKDM4EPOLBHPGDHTT
SCHEMBL27808161 0.80 GAA (0.57) GAAKDM4EPOLBHPGDHTT
SCHEMBL11317879 0.80 GAA (0.72) GAAKDM4EPOLBHPGDHTT

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-5856574-A ANTIISCHEMIC AGENTS; ANTIARRTHYMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1999-01-05 US disclosed