SCHEMBL9540471

SCHEMBL9540471

Oc1cccc2[nH]c(Cc3ccccc3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 3/20 0.77
▸ GRIN1 Q05586 2/20 0.77
▸ GAA P10253 4/20 0.58
▸ HTR6 P50406 2/20 0.56
▸ PKM P14618 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PDE10A Q9Y233 1/20 0.52
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ RAB9A P51151 1/20 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
SCHEMBL10869434 0.83 GRIN1 (0.74) GRIN2BGRIN1GAAPDE10ANPC1
SCHEMBL6795429 0.83 GRIN1 (0.59) GRIN2BGRIN1GAAPKMTSHR
SCHEMBL6542830 0.82 GAA (0.60) GRIN2BGRIN1GAAHTR6PKM
SCHEMBL7692083 0.82 GRIN2B (0.59) GRIN2BGRIN1GAAHTR6PKM
Hydrochloric Acid SCHEMBL10410762 0.82 GRIN1 (0.73) GRIN2BGRIN1GAA
Hydrochloric Acid SCHEMBL6791084 0.81 GRIN1 (0.58) GRIN2BGRIN1GAAPKMTSHR
SCHEMBL3790024 0.81 GAA (0.58) GRIN2BGRIN1GAAHTR6PKM
SCHEMBL9533100 0.80 GRIN1 (0.55) GRIN2BGRIN1GAATSHRPDE10A
SCHEMBL8816584 0.79 GAA (0.57) GRIN2BGRIN1GAAHTR6PKM
SCHEMBL6367925 0.79 — —

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
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