SCHEMBL9232889

SCHEMBL9232889

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MAPT P10636 6/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ LMNA P02545 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ACHE P22303 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ GAA P10253 1/20 0.40

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 0.88 MEN1 (0.65) MEN1KMT2AMAPTALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL28461881 0.86 MEN1 (0.63) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL12347503 0.83 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL1576857 0.80 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HSD17B10RECQL
SCHEMBL9232108 0.79 MAPT (0.66) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL9233195 0.79 KMT2A (0.60) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL9232619 0.78 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9228146 0.78 ATM (0.35) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL9229135 0.76 MAPT (0.36) MEN1KMT2AMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL9234059 0.76 ATM (0.34) MEN1KMT2AMAPTALDH1A1HPGD

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
Send feedback