SCHEMBL28522930

SCHEMBL28522930

N=C(N)NCCCCCCNC(=N)N.c1ccc2c(c1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 10/20 0.45
ALOX15 P16050 1/20 0.39
PRSS1 P07477 3/20 0.37
F2 P00734 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
TMPRSS6 Q8IU80 2/20 0.37
ST14 Q9Y5Y6 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
Chlorobenzene SCHEMBL28349421 0.79 MEN1 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2NAMPT
Synthalin SCHEMBL336302 0.77 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL10728151 0.77 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL11882788 0.77 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL1923256 0.77 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL3069140 0.77 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL3072659 0.77 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL434733 0.77 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
Guanidine SCHEMBL1897791 0.75 CYP1A2 (0.46) CYP1A2KMT2ASMN1; SMN2ALOX15PRSS1
Hydrochloric Acid SCHEMBL21715464 0.75 SMN1; SMN2 (0.64) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15

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-112351766-A Method for inhibiting microbial infections using zinc-containing compositions 璀昂芬制药公司 2021-02-09 CN disclosed