SCHEMBL27870573

SCHEMBL27870573

Cc1ccc(-n2cccn2)cc1[N+](=O)[O-].Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
MEN1 O00255 10/20 0.48
KMT2A Q03164 10/20 0.48
MAPT P10636 9/20 0.48
ALDH1A1 P00352 8/20 0.48
LMNA P02545 5/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.40
CASP6 P55212 1/20 0.40
TLR9 Q9NR96 1/20 0.40
HTT P42858 1/20 0.40
MDM2 Q00987 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM5A P29375 1/20 0.40
KDM2B Q8NHM5 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
SCHEMBL27853895 0.85 MAPT (0.48) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL28792687 0.83 MEN1 (0.46) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL27605945 0.83 LMNA (0.47) MEN1KMT2AALDH1A1LMNARXFP1
SCHEMBL13206126 0.81 ALDH1A1 (0.42) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL28031060 0.79 GPBAR1 (0.40) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL8302020 0.79 DTYMK (0.48) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL5068050 0.76 KAT6A (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL27605852 0.76 LMNA (0.45) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL27640385 0.76 HTT (0.53) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL4137682 0.75 HPGD (0.51) TSHRMEN1KMT2AMAPTALDH1A1

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
CN-102471284-A Dihydropyrimidone amides as P2X7 modulators HOFFMANN LA ROCHE 2012-05-23 CN disclosed