SCHEMBL9048699

SCHEMBL9048699

COC(=O)c1cccc([N+](=O)[O-])c1C(=O)O.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
POLB P06746 1/20 0.45
GLA P06280 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL2598194 0.98 L3MBTL1 (0.59) L3MBTL1TSHRTDP1ALDH1A1MAPT
Benzene SCHEMBL27561238 0.98 L3MBTL1 (0.59) L3MBTL1TSHRTDP1ALDH1A1MAPT
SCHEMBL9048711 0.97 L3MBTL1 (0.58) L3MBTL1TSHRTDP1ALDH1A1MAPT
SCHEMBL50994 0.89 TSHR (0.54) L3MBTL1TSHRTDP1ALDH1A1MAPT
SCHEMBL5863528 0.86 TSHR (0.64) L3MBTL1TSHRTDP1ALDH1A1MAPT
SCHEMBL4415542 0.86 TSHR (0.64) L3MBTL1TSHRTDP1ALDH1A1MAPT
SCHEMBL31485768 0.85 MEN1 (0.51) L3MBTL1TSHRTDP1ALDH1A1MAPT
SCHEMBL9048708 0.85 TSHR (0.50) L3MBTL1TSHRTDP1ALDH1A1MAPT
SCHEMBL6829577 0.85 MEN1 (0.51) L3MBTL1TSHRTDP1ALDH1A1MAPT
SCHEMBL10192699 0.85 TSHR (0.50) L3MBTL1TSHRTDP1ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8012635-A None JP disclosed
JP-H0812635-A PRODUCTION OF ACYLAMINOPHTHALIC ACID DERIVATIVE SUMITOMO CHEM CO LTD 1996-01-16 JP disclosed