SCHEMBL10652944

SCHEMBL10652944

O=S(=O)(Nc1ccccc1COc1ccc2ncccc2c1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 5/20 0.53
▸ KMT2A Q03164 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CYP3A4 P08684 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ AR P10275 1/20 0.46
▸ HTR1A P08908 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ HTR6 P50406 1/20 0.45
▸ GLO1 Q04760 2/20 0.45
▸ KDR P35968 1/20 0.44
▸ CCR9 P51686 1/20 0.44

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
SCHEMBL10653101 0.90 PIK3CA (0.56) SLC40A1KMT2AALDH1A1PIK3CAMEN1
SCHEMBL9446979 0.83 SLC40A1 (0.55) SLC40A1KMT2AALDH1A1PIK3CAPOLB
SCHEMBL10657386 0.82 SLC40A1 (0.59) SLC40A1KMT2APPARGMEN1TDP1
SCHEMBL10650414 0.81 AR (0.55) SLC40A1KMT2AALDH1A1PIK3CACYP3A4
SCHEMBL9447133 0.79 SLC40A1 (0.67) SLC40A1KMT2AALDH1A1POLBMEN1
SCHEMBL9446946 0.78 PGR (0.62) SLC40A1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL6981076 0.75 ALDH1A1 (0.76) SLC40A1KMT2AALDH1A1PIK3CAMEN1
SCHEMBL10650851 0.74 PIK3CA (0.57) SLC40A1KMT2AALDH1A1PIK3CAMEN1
SCHEMBL9800765 0.73 ALDH1A1 (0.68) SLC40A1KMT2AALDH1A1POLBCYP3A4
SCHEMBL10655458 0.71 AR (0.55) KMT2AALDH1A1PIK3CAPPARGMEN1

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-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 — — EP disclosed
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