SCHEMBL28849306

SCHEMBL28849306

N=C(NC(=N)NN1CCCC1)NN1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
F2 P00734 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
LIPE Q05469 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL28170324 1.00 HTT (0.36) HTTF2LMNAPOLBLIPE
Hydrochloric Acid SCHEMBL22372396 0.97 HTT (0.35) HTTF2LMNAPOLBLIPE
Hydrochloric Acid SCHEMBL22372400 0.97 HTT (0.35) HTTF2LMNAPOLBLIPE
SCHEMBL8135068 0.89 HTT (0.39) HTTF2LMNAPOLBLIPE
Hydrochloric Acid SCHEMBL22372399 0.84 F2 (0.38) HTTF2LMNAPOLB
SCHEMBL28170308 0.83 F2 (0.36) F2
SCHEMBL19467851 0.82 HTT (0.42) HTTPOLBKDM4EALDH1A1TP53
SCHEMBL19467850 0.82 HTT (0.42) HTTPOLBKDM4EALDH1A1TP53
SCHEMBL19467853 0.82 HTT (0.42) HTTPOLBKDM4EALDH1A1TP53
SCHEMBL19467852 0.82 HTT (0.42) HTTPOLBKDM4EALDH1A1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108536-A Biguanide compound and application thereof 伊谬诺米特医疗有限公司 2017-08-29 CN claimed
CN-107108536-A Biguanide compound and application thereof 伊谬诺米特医疗有限公司 2017-08-29 CN disclosed