SCHEMBL4698396

SCHEMBL4698396

NC(=NN=Cc1cccc2ccccc12)NN=Cc1cccc2ccccc12.NC(=NN=Cc1ccccc1Br)NN=Cc1ccccc1Br

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.58
GRIN3B O60391 2/20 0.58
GRIN1 Q05586 2/20 0.58
GRIN2A Q12879 2/20 0.58
GRIN2B Q13224 2/20 0.58
GRIN2C Q14957 2/20 0.58
GRIN3A Q8TCU5 2/20 0.58
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
POLB P06746 1/20 0.51
GCGR P47871 1/20 0.49
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 1/20 0.47
F2 P00734 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL4699427 0.92 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4698450 0.89 MAPT (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4698394 0.81 ALDH1A1 (0.53) MEN1KMT2APOLBGCGRRAB9A
SCHEMBL17560810 0.75 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17560814 0.75 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3074694 0.74 GUSB (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19051446 0.74 GUSB (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28149029 0.74 ALDH1A1 (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7748696 0.73 MAPT (0.55) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL7748700 0.73 MAPT (0.55) MEN1KMT2APOLBRAB9ANPC1

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 1 patent. 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