SCHEMBL7466451

SCHEMBL7466451

O=C(NCCCC(=O)n1ccnc1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.49
TGM2 P21980 1/20 0.49
DPP8 Q6V1X1 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
KEAP1 Q14145 3/20 0.48
NFE2L2 Q16236 3/20 0.48
HRH4 Q9H3N8 1/20 0.47
ANPEP P15144 1/20 0.47
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
POLB P06746 1/20 0.45
FOLH1 Q04609 2/20 0.45
PREP P48147 2/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 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
SCHEMBL1710151 0.85 POLB (0.49) HTTSMN1; SMN2LMNAGAAHRH4
SCHEMBL15132766 0.81 SMN1; SMN2 (0.67) HTTSMN1; SMN2HRH4POLB
SCHEMBL30980576 0.80 LMNA (0.64) HTTSMN1; SMN2LMNAGAATGM2
SCHEMBL28473741 0.78 SMN1; SMN2 (0.56) HTTSMN1; SMN2LMNAHRH4POLB
SCHEMBL30980778 0.77 HTT (0.44) HTTSMN1; SMN2LMNATGM2DPP8
SCHEMBL319161 0.77 HTT (1.00) HTTSMN1; SMN2LMNATGM2KEAP1
SCHEMBL18254066 0.76 HTT (0.81) HTTSMN1; SMN2LMNATGM2DPP8
SCHEMBL24461095 0.76 POLB (0.44) LMNAHRH4ANPEPPOLBSLC1A3
SCHEMBL29440183 0.76 ATM (0.48) LMNAHRH4POLB
SCHEMBL14295143 0.76 HTT (0.67) HTTSMN1; SMN2LMNAGAATGM2

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-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed