SCHEMBL4697902

SCHEMBL4697902

N=C(NN=Cc1cccc2ccccc12)NN=Cc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.61
F2 P00734 1/20 0.61
GCGR P47871 1/20 0.60
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
POLB P06746 2/20 0.55
ATM Q13315 1/20 0.55
MAPT P10636 4/20 0.53
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 2/20 0.51

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
SCHEMBL4697896 1.00 LMNA (0.61) LMNAALDH1A1F2GCGRMEN1
SCHEMBL4698394 0.91 ALDH1A1 (0.53) LMNAALDH1A1F2GCGRMEN1
SCHEMBL10783548 0.85 LMNA (0.60) LMNAALDH1A1F2GCGRMEN1
SCHEMBL27178064 0.81 ALDH1A1 (0.69) LMNAALDH1A1F2GCGRMEN1
SCHEMBL30826048 0.81 ALDH1A1 (0.69) LMNAALDH1A1F2GCGRMEN1
SCHEMBL28149029 0.81 ALDH1A1 (0.65) LMNAALDH1A1F2GCGRMEN1
SCHEMBL19051446 0.81 GUSB (0.68) LMNAALDH1A1F2GCGRATM
SCHEMBL3074694 0.81 GUSB (0.68) LMNAALDH1A1F2GCGRATM
SCHEMBL22925029 0.81 ALDH1A1 (0.69) LMNAALDH1A1F2GCGRMEN1
SCHEMBL13568964 0.80 GCGR (0.89) LMNAALDH1A1F2GCGRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP claimed
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