SCHEMBL11539062

SCHEMBL11539062

O=C1c2ccccc2C(=O)c2c1cccc2S(Cl)(Cl)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
L3MBTL1 Q9Y468 6/20 0.46
ADORA2A P29274 1/20 0.46
LMNA P02545 5/20 0.44
THRB P10828 2/20 0.44
STAT3 P40763 1/20 0.44
MAPT P10636 8/20 0.42
TDP1 Q9NUW8 5/20 0.42
MAPK1 P28482 5/20 0.42
EGFR P00533 3/20 0.42
PABPC1 P11940 1/20 0.42
RAB9A P51151 1/20 0.42
NSD2 O96028 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CDC25B P30305 1/20 0.41
HSD17B10 Q99714 2/20 0.41
MAOA P21397 3/20 0.40
ALOX12 P18054 2/20 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
SCHEMBL31544427 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2L3MBTL1ADORA2ALMNA
SCHEMBL13241510 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2L3MBTL1ADORA2ALMNA
SCHEMBL1823917 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2L3MBTL1ADORA2ALMNA
SCHEMBL13241419 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1ADORA2ALMNA
SCHEMBL11541702 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2L3MBTL1ADORA2ALMNA
SCHEMBL1346951 0.77 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2L3MBTL1ADORA2ALMNA
SCHEMBL8988302 0.75 STAT3 (0.53) ALDH1A1SMN1; SMN2L3MBTL1ADORA2ALMNA
SCHEMBL1477522 0.74 STAT3 (0.73) ALDH1A1SMN1; SMN2L3MBTL1ADORA2ALMNA
SCHEMBL230644 0.74 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2L3MBTL1ADORA2ALMNA
SCHEMBL29470867 0.74 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2L3MBTL1ADORA2ALMNA

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-4176113-A ANTRAQUINONE DYES CIBA-GEIGY CORPORATION (US) 1979-11-27 US disclosed