SCHEMBL9233195

SCHEMBL9233195

CC(C)(C)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.60
▸ MEN1 O00255 3/20 0.55
▸ HSD11B1 P28845 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ CA2 P00918 7/20 0.50
▸ CA1 P00915 6/20 0.50
▸ MAPT P10636 4/20 0.50
▸ CA12 O43570 4/20 0.50
▸ CA9 Q16790 4/20 0.50
▸ CA3 P07451 3/20 0.50
▸ CA4 P22748 3/20 0.50
▸ CA6 P23280 3/20 0.50
▸ CA5A P35218 3/20 0.50
▸ CA7 P43166 3/20 0.50
▸ CA13 Q8N1Q1 3/20 0.50
▸ CA14 Q9ULX7 3/20 0.50
▸ CA5B Q9Y2D0 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ RECQL P46063 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL1466162 0.89 MEN1 (0.65) KMT2AMEN1POLBCA2CA1
Ammonia Solution, Strong SCHEMBL28461881 0.88 MEN1 (0.63) KMT2AMEN1POLBCA2CA1
SCHEMBL13884294 0.86 ALDH1A1 (0.55) KMT2AMEN1CA2CA1MAPT
SCHEMBL12347503 0.84 MEN1 (0.59) KMT2AMEN1POLBCA2CA1
SCHEMBL4471540 0.81 ALDH1A1 (0.78) KMT2AMEN1HSD11B1POLBCA2
SCHEMBL9232108 0.80 MAPT (0.66) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL11419996 0.80 CA2 (0.67) KMT2AHSD11B1POLBCA2CA1
SCHEMBL11855965 0.80 CA2 (0.67) KMT2AHSD11B1POLBCA2CA1
SCHEMBL3158508 0.80 CA2 (0.67) KMT2AHSD11B1POLBCA2CA1
SCHEMBL9228703 0.79 HTR6 (0.54) KMT2AMEN1HSD11B1POLBMAPT

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-0666253-A1 N-t-BUTYLANILINE ANALOG AND LIPID LEVEL DEPRESSANT CONTAINING THE SAME TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-08-09 — — EP disclosed
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