SCHEMBL7954952

SCHEMBL7954952

N=C(N)NN1CCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
NOTUM Q6P988 1/20 0.44
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
MGLL Q99685 1/20 0.43
MAPK1 P28482 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL4984050 0.90 SIGMAR1 (0.51) SIGMAR1SMN1; SMN2ALDH1A1NOTUMMAPT
SCHEMBL6154763 0.87 SIGMAR1 (0.57) SIGMAR1SMN1; SMN2ALDH1A1GAANOTUM
SCHEMBL1716131 0.85 SMN1; SMN2 (0.56) SIGMAR1SMN1; SMN2ALDH1A1GAANOTUM
SCHEMBL27745558 0.79 SMN1; SMN2 (0.56) SIGMAR1SMN1; SMN2ALDH1A1GAANOTUM
SCHEMBL6154765 0.78 ALDH1A1 (0.43) SIGMAR1SMN1; SMN2ALDH1A1GAANOTUM
SCHEMBL1859866 0.77 SMN1; SMN2 (0.54) SIGMAR1SMN1; SMN2ALDH1A1GAANOTUM
Hydrochloric Acid SCHEMBL1859868 0.77 SMN1; SMN2 (0.54) SIGMAR1SMN1; SMN2ALDH1A1GAANOTUM
SCHEMBL10440938 0.77 NOTUM (0.59) SMN1; SMN2ALDH1A1GAANOTUMPOLB
SCHEMBL15640486 0.77 SMN1; SMN2 (0.50) SIGMAR1SMN1; SMN2ALDH1A1GAANOTUM
Benzene SCHEMBL7956618 0.76 NOTUM (0.58) SMN1; SMN2ALDH1A1NOTUMPOLBRECQL

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-6174924-B1 Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. 2001-01-16 US disclosed