SCHEMBL10411536

SCHEMBL10411536

CC(C)(C)c1ccc2[nH]c(Cc3ccccc3)nc2c1O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.49
▸ GRIN1 Q05586 1/20 0.47
▸ GAA P10253 4/20 0.47
▸ PKM P14618 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HTR6 P50406 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ RNASEH1 O60930 2/20 0.43
▸ BRD4 O60885 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ MAPK13 O15264 1/20 0.40
▸ MAPK12 P53778 1/20 0.40
▸ MAPK11 Q15759 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL10411392 0.79 GAA (0.42) GAAPKMTSHRRNASEH1
SCHEMBL6759191 0.77 GAA (0.54) GRIN2BGRIN1GAAPKMTSHR
SCHEMBL10411393 0.76 GAA (0.42) GAAPKMTSHR
SCHEMBL11562006 0.76 HTR6 (0.44) GRIN2BGRIN1GAAPKMTSHR
SCHEMBL9540471 0.74 GRIN2B (0.77) GRIN2BGRIN1GAAPKMTSHR
SCHEMBL11681489 0.73 CA2 (0.47) GAATSHRALDH1A1KDM4ETDP1
SCHEMBL6542830 0.72 GAA (0.60) GRIN2BGRIN1GAAPKMTSHR
SCHEMBL6951804 0.69 HTR6 (0.52) GRIN2BGRIN1GAAPKMTSHR
SCHEMBL3790024 0.68 GAA (0.58) GRIN2BGRIN1GAAPKMTSHR
SCHEMBL8816584 0.67 GAA (0.57) GRIN2BGRIN1GAAPKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178413-A1 Benzimidazoles BEECHAM GROUP PLC (GB) 1986-04-23 — — EP claimed
US-4925853-A Antiinflammatory, antiallergens, antiulcer agents BEECHAM GROUP PLC (GB) 1990-05-15 — — US disclosed
EP-0178413-A1 Benzimidazoles BEECHAM GROUP PLC (GB) 1986-04-23 — — EP disclosed
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