SCHEMBL9301949

SCHEMBL9301949

CCOC(=O)c1ccc(Cc2nc3ccc(OC)cc3[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.63
GRIN2B Q13224 3/20 0.63
F10 P00742 1/20 0.58
CYP1A2 P05177 1/20 0.52
CYP2E1 P05181 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49

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
SCHEMBL9302580 0.91 ALDH1A1 (0.52) GRIN1GRIN2BF10MAPTALDH1A1
SCHEMBL6171495 0.82 GAA (0.59) GRIN1GRIN2BMAPTALDH1A1NPC1
SCHEMBL9302827 0.82 MAPT (0.71) GRIN1GRIN2BMAPTALDH1A1NPC1
SCHEMBL7916738 0.79 GRIN1 (0.85) GRIN1GRIN2BF10CYP1A2CYP2E1
SCHEMBL9672269 0.78 GRIN1 (0.46) GRIN1GRIN2BF10CYP1A2CYP2E1
SCHEMBL9671495 0.78 GRIN1 (0.57) GRIN1GRIN2BF10CYP1A2CYP2E1
SCHEMBL7518814 0.77 GRIN1 (1.00) GRIN1GRIN2BF10CYP1A2CYP2E1
SCHEMBL11458535 0.77 KMT2A (0.63) CYP1A2CYP3A4CYP2C19MAPTALDH1A1
Hydrochloric Acid SCHEMBL11903456 0.76 GRIN1 (0.65) GRIN1GRIN2BF10CYP1A2CYP2E1
SCHEMBL3995236 0.76 ALDH1A1 (0.53) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP claimed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed