SCHEMBL4698346

SCHEMBL4698346

N=C(N/N=C/c1c[nH]c2ccccc12)Nc1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
GAA P10253 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 2/20 0.57
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57
TUBB2A Q13885 1/20 0.57
TUBB8 Q3ZCM7 1/20 0.57
TUBA3E Q6PEY2 1/20 0.57
TUBA1A Q71U36 1/20 0.57
TUBA1C Q9BQE3 1/20 0.57

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
SCHEMBL6026757 0.89 MAPT (0.69) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL6026750 0.89 MAPT (0.69) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL7623116 0.81 MAPT (0.74) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL7623120 0.81 MAPT (0.74) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL6025185 0.79 MAPT (0.56) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL4701251 0.77 RAB9A (0.55) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL9668293 0.76 RAB9A (0.77) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL9668297 0.76 RAB9A (0.77) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL4332218 0.75 MAPT (1.00) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL8257172 0.75 MAPT (0.74) MAPTGAACYP1A2CYP3A4RAB9A

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
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US claimed
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP disclosed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US disclosed