SCHEMBL9239165

SCHEMBL9239165

CN(c1ccc(-c2ccccc2)cc1)c1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
GLA P06280 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNMA1 Q12791 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LMNA P02545 1/20 0.40
FBP1 P09467 1/20 0.40
CDC25B P30305 1/20 0.39
POLB P06746 2/20 0.39
EIF4E P06730 1/20 0.38
MAPK1 P28482 1/20 0.38
CTSD P07339 1/20 0.38

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
SCHEMBL6679988 0.80 TSHR (0.63) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL3974369 0.78 SLC6A3 (0.49) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL4609556 0.76 TSHR (0.54) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL4565092 0.75 TSHR (0.56) TSHRALDH1A1KMT2AMEN1KDM4E
Trimethylammonium SCHEMBL28659606 0.75 TSHR (0.64) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL7009875 0.75 SLC6A3 (0.43) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL28784968 0.73 ALDH1A1 (0.43) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL593074 0.72 TSHR (0.60) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL29696138 0.71 TSHR (0.67) TSHRALDH1A1KMT2AMEN1KDM4E
SCHEMBL30727560 0.71 TSHR (0.67) TSHRALDH1A1KMT2AMEN1KDM4E

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-7188148-A None JP disclosed
JP-H07188148-A PRODUCTION OF AMINOBENZOATE COMPOUND YOSHITOMI PHARMACEUT IND LTD 1995-07-25 JP disclosed