SCHEMBL9798162

SCHEMBL9798162

CN(C)C(=O)Sc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.54
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
CES1 P23141 2/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TSHR P16473 1/20 0.45
CES2 O00748 1/20 0.42

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
SCHEMBL11339267 0.92 GAA (0.56) GAALMNAL3MBTL1TDP1ALDH1A1
SCHEMBL9797687 0.86 ALDH1A1 (0.51) TDP1ALDH1A1MAPTCES1TSHR
SCHEMBL28861673 0.79 HPGD (0.55) SRD5A2LMNAL3MBTL1TDP1ALDH1A1
SCHEMBL10723714 0.78 SRD5A2 (0.83) SRD5A2GAALMNAL3MBTL1TDP1
SCHEMBL975118 0.78 SRD5A2 (0.83) SRD5A2GAALMNAL3MBTL1TDP1
SCHEMBL20244667 0.76 ALDH1A1 (0.53) LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL6326580 0.76 ALDH1A1 (0.68) SRD5A2GAALMNAL3MBTL1TDP1
SCHEMBL6679164 0.74 HSP90AA1 (0.57) GAALMNAL3MBTL1ALDH1A1MAPT
SCHEMBL9797395 0.74 CA1 (0.43) ALDH1A1MAPTCA1CA2
SCHEMBL584608 0.73 MAPK1 (0.62) SRD5A2GAAL3MBTL1TDP1ALDH1A1

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-4996347-A Anticoagulant FOURNIER INNOVATION ET SYNERGIE (FR) 1991-02-26 US disclosed