SCHEMBL9874420

SCHEMBL9874420

O=C(c1ccc(Cl)cc1)c1cnc2ccc(Cl)cc2c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
LMNA P02545 2/20 0.44
HTT P42858 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SRD5A2 P31213 1/20 0.41
NR4A1 P22736 1/20 0.41
MAPK10 P53779 1/20 0.40
PRNP P04156 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
PTGS2 P35354 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
SCHEMBL9875561 0.92 MEN1 (0.61) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL9875419 0.87 LMNA (0.54) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL5756614 0.85 SRD5A2 (0.46) MEN1KMT2AHTTALDH1A1TDP1
SCHEMBL6202230 0.83 ALDH1A1 (0.50) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL9875197 0.79 SRC (0.42) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL9874612 0.78 MEN1 (0.62) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL5758160 0.78 MEN1 (0.52) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL6198849 0.76 EGLN1 (0.51) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL10991178 0.75 MEN1 (0.64) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL529310 0.75 MAPT (0.51) MEN1KMT2AHTTSMN1; SMN2ALDH1A1

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-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed