SCHEMBL11410883

SCHEMBL11410883

O=[N+]([O-])c1ccccc1C1OC1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.45
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DNMT3B Q9UBC3 4/20 0.43
CUL4A Q13619 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL11451918 0.86 GPR35 (0.50) GPR35ALDH1A1TSHRMEN1KMT2A
SCHEMBL11451916 0.86 GPR35 (0.50) GPR35ALDH1A1TSHRMEN1KMT2A
SCHEMBL9100356 0.78 TDP1 (0.43) GPR35ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9100348 0.78 TDP1 (0.43) GPR35ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11451379 0.77 GPR35 (0.45) GPR35ALDH1A1TSHRMEN1KMT2A
SCHEMBL4386759 0.77 GPR35 (0.46) GPR35ALDH1A1TSHRMEN1KMT2A
SCHEMBL1021883 0.73 MEN1 (0.44) GPR35ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9595282 0.73 KMT2A (0.47) GPR35ALDH1A1TSHRMEN1KMT2A
SCHEMBL30844063 0.73 MEN1 (0.44) GPR35ALDH1A1MEN1KMT2AKDM4E
SCHEMBL20537519 0.73 HSD17B10 (0.41) GPR35ALDH1A1TSHRMEN1KMT2A

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-0030030-A1 Derivatives of 2-aminoethanol, processes for their preparation, pharmaceutical compositions containing such compounds and the use the latter CIBA-GEIGY AG (CH) 1981-06-10 EP disclosed