SCHEMBL6857068

SCHEMBL6857068

N=C(Nc1cccc2c1CCCC2)Nc1cccc2c1CCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 3/20 0.56
SIGMAR1 Q99720 2/20 0.56
GRIN2D O15399 1/20 0.56
GRIN3B O60391 1/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
GRIN2C Q14957 1/20 0.56
GRIN3A Q8TCU5 1/20 0.56
THRA P10827 1/20 0.56
THRB P10828 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.51
BCL2L1 Q07817 1/20 0.50
BAD Q92934 1/20 0.50

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
SCHEMBL8996663 0.96 SIGMAR1 (0.56) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL6719089 0.86 MEN1 (0.49) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL6719061 0.86 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL17894510 0.86 SIGMAR1 (0.61) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL18917078 0.84 SIGMAR1 (0.60) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL6720727 0.82 LMNA (0.54) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL6716539 0.82 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL4512661 0.82 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL9293166 0.82 SIGMAR1 (0.61) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL6717182 0.81 NPC1 (0.50) ALDH1A1MEN1KMT2ALMNASIGMAR1

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
US-6787569-B1 INHIBITORS OF NEUROTRANSMITTER (E.G., GLUTAMATE) RELEASE FROM ISCHEMIC NEURONAL CELLS; N,N-DISUBSTITUTED GUANIDINES; NEUROLOGICAL CONDITIONS SUCH AS EPILEPSY, NEURODEGENERATIVE CONDITIONS AND/OR NERVE CELL DEATH FROM STROKE OR HEART ATTACK CAMBRIDGE NEUROSCIENCE, INC. 2004-09-07 US disclosed