SCHEMBL9503892

SCHEMBL9503892

O=C(O)Oc1cc(=O)n(-c2ccccc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
BLM P54132 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALKBH5 Q6P6C2 7/20 0.44
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 4/20 0.42
GAA P10253 3/20 0.42
HTT P42858 2/20 0.42
CTSA P10619 2/20 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
SCHEMBL27864282 0.87 TSHR (0.52) TSHRMAPTALDH1A1LMNAPOLB
SCHEMBL11211058 0.87 TSHR (0.49) TSHRMAPTALDH1A1LMNAPOLB
SCHEMBL10913569 0.87 TSHR (0.49) TSHRMAPTALDH1A1LMNAPOLB
SCHEMBL8007070 0.87 TSHR (0.49) TSHRMAPTALDH1A1LMNAPOLB
SCHEMBL10923063 0.87 TSHR (0.49) TSHRMAPTALDH1A1LMNAPOLB
SCHEMBL11469612 0.86 ALKBH5 (0.46) TSHRMAPTALDH1A1LMNAALKBH5
SCHEMBL9505315 0.86 ALKBH5 (0.61) TSHRMAPTALDH1A1LMNAALKBH5
SCHEMBL10863285 0.84 TSHR (0.57) TSHRMAPTALDH1A1LMNAPOLB
SCHEMBL11204062 0.83 TSHR (0.46) TSHRMAPTALDH1A1LMNAPOLB
SCHEMBL1734462 0.82 CYP2C19 (0.43) TSHRMAPTALDH1A1LMNAALKBH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297397-B1 PREPARATION OF DIAZO AND AZO COMPOUNDS BAYER AG (DE) 1993-08-04 EP disclosed
EP-0297397-A2 Preparation of diazo and azo compounds BAYER AG (DE) 1989-01-04 EP disclosed
EP-0204244-A2 Tetrakis azo dyes BAYER AG (DE) 1986-12-10 EP disclosed
EP-0093306-B1 METHODS FOR THE PREPARATION OF AZO COMPOUNDS, AND AZO COMPOUNDS BAYER AG (DE) 1986-09-24 EP disclosed
EP-0163113-A2 Dyestuff salts of anionic dyes BASF Aktiengesellschaft (DE) 1985-12-04 EP disclosed
EP-0037904-B1 METAL-COMPLEX DYESTUFFS BASF Aktiengesellschaft (DE) 1983-12-28 EP disclosed
EP-0093306-A1 Methods for the preparation of azo compounds, and azo compounds BAYER AG (DE) 1983-11-09 EP disclosed
EP-0037904-A1 Metal-complex dyestuffs BASF Aktiengesellschaft (DE) 1981-10-21 EP disclosed
EP-0012716-A1 Monochlorotriazine dyestuffs of the pyrazolone series, their preparation and their use for dyeing and printing textile materials CIBA-GEIGY AG (CH) 1980-06-25 EP disclosed