SCHEMBL9780507

SCHEMBL9780507

O=C(O)[C@@H]1Cc2cc(Cl)ccc2O1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GLS O94925 2/20 0.54
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SCN3A Q9NY46 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
ATF4 P18848 1/20 0.39
AR P10275 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
SCHEMBL5910335 1.00 MEN1 (0.54) MEN1KMT2AGLSPOLBSMN1; SMN2
SCHEMBL30873618 1.00 MEN1 (0.54) MEN1KMT2AGLSPOLBSMN1; SMN2
SCHEMBL11458128 0.88 GLS (0.45) MEN1KMT2AGLSPOLBSMN1; SMN2
SCHEMBL11172644 0.87 POLB (0.47) MEN1KMT2AGLSPOLBSMN1; SMN2
SCHEMBL2152221 0.85 MEN1 (0.53) MEN1KMT2AGLSPOLBSMN1; SMN2
SCHEMBL24193319 0.85 SMN1; SMN2 (0.46) MEN1KMT2AGLSPOLBSMN1; SMN2
SCHEMBL5847887 0.84 POLB (0.48) MEN1KMT2AGLSPOLBNFKB1
SCHEMBL5847886 0.84 POLB (0.48) MEN1KMT2AGLSPOLBNFKB1
SCHEMBL5847882 0.84 POLB (0.48) MEN1KMT2AGLSPOLBNFKB1
Hydrochloric Acid SCHEMBL11471350 0.83 POLB (0.47) MEN1KMT2AGLSPOLBNFKB1

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-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed