SCHEMBL9540475

SCHEMBL9540475

Oc1cccc2nc(Cc3ccccc3)[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
KMT2A Q03164 1/20 0.58
PKM P14618 2/20 0.54
TSHR P16473 1/20 0.54
GRIN1 Q05586 2/20 0.47
GRIN2B Q13224 2/20 0.47
RNASEH1 O60930 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
EGFR P00533 1/20 0.44
ERBB2 P04626 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
SCHEMBL7448184 0.87 GRIN1 (0.65) GAAKMT2AGRIN1GRIN2B
SCHEMBL6795421 0.83 GAA (0.57) GAAPKMTSHRGRIN1GRIN2B
SCHEMBL28217562 0.82 GAA (0.60) GAAKMT2APKMTSHRGRIN1
SCHEMBL6542837 0.82 GAA (0.60) GAAKMT2APKMTSHRGRIN1
SCHEMBL7692081 0.82 TSHR (0.43) GAAKMT2APKMTSHRKDM4E
Hydrochloric Acid SCHEMBL6791080 0.81 GAA (0.56) GAAPKMTSHRGRIN1GRIN2B
Hydrochloric Acid SCHEMBL28217163 0.81 GAA (0.58) GAAKMT2APKMTSHRGRIN1
SCHEMBL28839113 0.81 GAA (0.58) GAAKMT2APKMTSHRGRIN1
SCHEMBL28828753 0.81 GAA (0.58) GAAKMT2APKMTSHRGRIN1
SCHEMBL8771674 0.81 GAA (0.58) GAAKMT2APKMTSHRGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993002087-A1 GALLIUM (III) COMPLEXES, PROCESS FOR THEIR OBTENTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES MERAM (FR) 1993-02-04 WO claimed
EP-0178413-A1 Benzimidazoles BEECHAM GROUP PLC (GB) 1986-04-23 EP claimed
WO-1993002087-A1 GALLIUM (III) COMPLEXES, PROCESS FOR THEIR OBTENTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES MERAM (FR) 1993-02-04 WO disclosed
US-4925853-A Antiinflammatory, antiallergens, antiulcer agents BEECHAM GROUP PLC (GB) 1990-05-15 US disclosed
EP-0310808-A1 Curable compositions and corrosion resistant coatings prepared therefrom AMERICAN CYANAMID COMPANY (US) 1989-04-12 EP disclosed
US-4778728-A AMINE-REACTIVE POLYMER OF (METH)ACRYLAMAIDOGLYCOLATE, POLYFUNCTIONAL AMINE CROSSLINKER, BENZOTRIAZOLE OR A DIPYRIDYL AMERICAN CYANAMID COMPANY (US) 1988-10-18 US disclosed
EP-0178413-A1 Benzimidazoles BEECHAM GROUP PLC (GB) 1986-04-23 EP disclosed