SCHEMBL28492500

SCHEMBL28492500

N=C(N)NC(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
GAA P10253 1/20 0.43
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.36
HSD11B1 P28845 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
KMT2A Q03164 2/20 0.36
CA2 P00918 1/20 0.35
CHKA P35790 1/20 0.35

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
SCHEMBL22179999 0.98 F2 (0.50) F2GAAHTTSMN1; SMN2ALOX15
SCHEMBL3965980 0.85 CA2 (0.46) F2GAAPOLBCA2CHKA
SCHEMBL5406500 0.80 GAA (0.52) GAAHTTSMN1; SMN2ALOX15ALDH1A1
SCHEMBL1882976 0.79 GAA (0.48) F2GAAHTTSMN1; SMN2ALOX15
SCHEMBL17186605 0.79 GAA (0.44) F2GAAHTTSMN1; SMN2ALOX15
SCHEMBL9184806 0.79 GAA (0.48) F2GAAHTTSMN1; SMN2ALOX15
SCHEMBL2950074 0.76 F2 (0.50) F2ALOX15ALDH1A1MAPT
SCHEMBL2953468 0.74 F2 (0.54) F2ALDH1A1POLBCA2CHKA
SCHEMBL12096425 0.74 F2 (0.54) F2ALDH1A1POLBCA2CHKA
SCHEMBL45010 0.74 F2 (0.54) F2ALDH1A1POLBCA2CHKA

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
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed