SCHEMBL11855920

SCHEMBL11855920

CCOC(=O)c1cc([N+](=O)[O-])c(Cl)c(S(N)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ MAPT P10636 4/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ THRB P10828 1/20 0.45

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
SCHEMBL14879872 0.89 THRB (0.54) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL573521 0.86 VCAM1 (0.54) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL2655338 0.85 KMT2A (0.57) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL22470472 0.83 KMT2A (0.52) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL10606064 0.81 KMT2A (0.53) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL11547129 0.81 KMT2A (0.44) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL10607220 0.80 KMT2A (0.54) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL10829306 0.80 CA1 (0.51) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL573259 0.80 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL31108456 0.80 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1CA1CA2

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-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 — — US disclosed
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