SCHEMBL6138040

SCHEMBL6138040

CCOc1ccc(C(=O)N(C(=N)N)c2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 3/20 0.49
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
PARP10 Q53GL7 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45
TUBB3 Q13509 2/20 0.45
TUBB2A Q13885 2/20 0.45

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
SCHEMBL4628473 0.72 MAPT (0.56) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL4628483 0.71 SCN2A (0.73) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL29236663 0.71 MAPT (0.60) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL28425736 0.71 HPGD (0.48) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL6137876 0.71 PARP10 (0.47) MAPTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL28655358 0.69 MAPT (0.56) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL7930156 0.67 HPGD (0.57) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL6696687 0.67 CYP1A2 (0.44) MAPTLMNAALDH1A1MAPK1TSHR
SCHEMBL10744946 0.66 HTT (0.45) MAPTKDM4ELMNAALDH1A1POLB
SCHEMBL21128712 0.66 NPC1 (0.67) MAPTKDM4ELMNAALDH1A1SMN1; SMN2

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-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP claimed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP claimed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO claimed