SCHEMBL6889331

SCHEMBL6889331

CCc1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(S(=O)(=O)c2ccccc2)c1C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.67
PTGDR2 Q9Y5Y4 1/20 0.47
NOD1 Q9Y239 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
NOD2 Q9HC29 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP2 P08253 2/20 0.41
RAB9A P51151 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
SCHEMBL6466856 0.80 AR (1.00) ARPTGDR2NOD1NOD2MEN1
SCHEMBL6887430 0.74 AR (0.67) ARALDH1A1SMN1; SMN2PKMHPGD
SCHEMBL5594350 0.68 CA1 (0.55) NOD1ALDH1A1NOD2SMN1; SMN2LMNA
SCHEMBL25811422 0.67 MAPT (0.57) ARPTGDR2NOD1ALDH1A1GAA
SCHEMBL724342 0.66 KMT2A (0.51) ARNOD1ALDH1A1SMN1; SMN2POLB
SCHEMBL9666436 0.66 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBLMNAMEN1
SCHEMBL6469421 0.65 AR (1.00) ARPTGDR2ALDH1A1LMNAKMT2A
Methylamine SCHEMBL9267123 0.64 MAPK1 (0.67) ALDH1A1SMN1; SMN2POLBLMNAMEN1
SCHEMBL3895943 0.64 AGTR1 (0.64) ALDH1A1GAASMN1; SMN2POLBLMNA
SCHEMBL11655146 0.64 AGTR1 (0.64) ALDH1A1GAASMN1; SMN2POLBLMNA

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-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed