SCHEMBL9870181

SCHEMBL9870181

Cn1c(=O)cc(N2CCN(CCCNc3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)CC2)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
LMNA P02545 6/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 6/20 0.44
POLB P06746 3/20 0.44
PKM P14618 2/20 0.44
CDK2 P24941 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
TRPA1 O75762 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL9389722 0.86 MAPT (0.46) ALDH1A1LMNAMAPTPOLBPKM
SCHEMBL9383425 0.86 ALDH1A1 (0.48) ALDH1A1LMNAGAAMAPTPOLB
SCHEMBL9385515 0.85 ALDH1A1 (0.47) ALDH1A1LMNAGAAMAPTPOLB
Oxalic Acid SCHEMBL9384490 0.85 ALDH1A1 (0.47) ALDH1A1LMNAGAAMAPTPOLB
Oxalic Acid SCHEMBL9388883 0.83 ALDH1A1 (0.46) ALDH1A1LMNAGAAMAPTPOLB
SCHEMBL9388550 0.78 PDE4B (0.46) ALDH1A1LMNAGAAMAPTPOLB
SCHEMBL9385211 0.76 MAPT (0.50) ALDH1A1LMNAMAPTPOLBPKM
SCHEMBL9384217 0.76 CDK2 (0.53) ALDH1A1LMNAGAAMAPTPKM
SCHEMBL9384185 0.76 MAPT (0.51) ALDH1A1LMNAGAAMAPTPKM
SCHEMBL9383379 0.75 PDE4B (0.46) ALDH1A1LMNAMAPTPOLBPKM

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-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed