SCHEMBL10691284

SCHEMBL10691284

Nc1ccc(S(=O)O)cc1.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 2/20 0.39
CA6 P23280 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA3 P07451 1/20 0.39
THRB P10828 1/20 0.39
CASP1 P29466 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 4/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NT5E P21589 1/20 0.37
TDP1 Q9NUW8 4/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 2/20 0.35

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
SCHEMBL5312986 0.97 MAPT (0.44) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL3146022 0.86 ACHE (0.56) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL11859127 0.86 CA1 (0.33) CA1CA2
SCHEMBL3161559 0.85 TSHR (0.46) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL9153089 0.83 CA1 (0.36) ALDH1A1CYP3A4CYP2C9CA1CA2
Aniline SCHEMBL17294827 0.80 TSHR (0.52) MAPTMEN1KMT2AALDH1A1CYP3A4
Sulfurous Acid SCHEMBL27998330 0.77 MAPT (0.53) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL3157755 0.77 ACHE (0.50) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL10606718 0.75 ESR1 (0.35)
SCHEMBL3015878 0.74 CYP2A6 (0.42) MEN1KMT2AALDH1A1ALOX15TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4743619-A RIFAMYCINS, POLYMERASE INHIBITION AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-10 US disclosed
WO-1987001280-A1 METHOD OF TREATING HEPATITIS AMERICAN HOME PRODUCTS CORPORATION (US) 1987-03-12 WO disclosed
EP-0213935-A2 Rifamycin derivatives for treating hepatitis AMERICAN HOME PRODUCTS CORPORATION (US) 1987-03-11 EP disclosed