SCHEMBL9302580

SCHEMBL9302580

CCOC(=O)c1ccc(Cc2nc3cc(OC)ccc3[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 5/20 0.52
HPGD P15428 5/20 0.52
LMNA P02545 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
HTT P42858 2/20 0.52
GRIN1 Q05586 1/20 0.51
GRIN2B Q13224 1/20 0.51
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
MAOB P27338 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
F10 P00742 1/20 0.47
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
PTPN5 P54829 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
SCHEMBL9301949 0.91 GRIN1 (0.63) ALDH1A1KDM4EHPGDLMNANPC1
SCHEMBL9671495 0.87 GRIN1 (0.57) ALDH1A1KDM4ENPC1RAB9AGRIN1
SCHEMBL6171488 0.82 MAPT (0.56) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL9302827 0.82 MAPT (0.71) ALDH1A1KDM4EHPGDLMNANPC1
SCHEMBL9303204 0.81 RIPK1 (0.53) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL38661615 0.80 HSD17B10 (0.66) ALDH1A1KDM4EHPGDLMNANPC1
SCHEMBL7916731 0.79 GRIN1 (0.68) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL8318679 0.78 HDAC1 (0.53) KDM4EGRIN1GRIN2BMAPTPOLB
SCHEMBL14930156 0.78 MAPT (0.67) ALDH1A1KDM4EHPGDLMNANPC1
SCHEMBL22931148 0.77 CHEK2 (0.56) ALDH1A1LMNANPC1RAB9AGRIN1

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