SCHEMBL9321875

SCHEMBL9321875

O=C(Nc1ccccc1)Oc1ccc(C=Cc2ccc(OC(=O)Nc3ccccc3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ RAD51 Q06609 2/20 0.49
▸ BCHE P06276 3/20 0.47
▸ ACHE P22303 2/20 0.47
▸ ENPP2 Q13822 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ ADAMTS4 O75173 1/20 0.41
▸ RAD1 O60671 1/20 0.41
▸ P2RY6 Q15077 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ THRB P10828 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
SCHEMBL23853327 0.87 ENPP2 (0.56) ALDH1A1KMT2AGAAHTTSMN1; SMN2
SCHEMBL8615558 0.86 ENPP2 (0.43) ALDH1A1KMT2AGAARAD51ENPP2
SCHEMBL14437899 0.78 ENPP2 (0.74) ALDH1A1KMT2AHTTSMN1; SMN2ENPP2
SCHEMBL9321648 0.78 ENPP2 (0.74) ALDH1A1KMT2AHTTSMN1; SMN2ENPP2
SCHEMBL26977995 0.77 ENPP2 (0.72) ALDH1A1KMT2AHTTSMN1; SMN2ENPP2
SCHEMBL17255098 0.77 ENPP2 (0.72) ALDH1A1KMT2AHTTSMN1; SMN2ENPP2
SCHEMBL15282738 0.77 ENPP2 (0.72) ALDH1A1KMT2AHTTSMN1; SMN2ENPP2
SCHEMBL8613096 0.77 RAD1 (0.47) ALDH1A1KMT2ARAD51ENPP2MEN1
SCHEMBL9321937 0.76 ENPP2 (0.41) ALDH1A1KMT2ASMN1; SMN2RAD51ENPP2
SCHEMBL10966689 0.75 KDM4E (0.63) ALDH1A1KMT2AGAAHTTSMN1; SMN2

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-5359131-A Sulfonic acid derivatives in the treatment of viral diseases MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-25 — — US disclosed
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