SCHEMBL16620033

SCHEMBL16620033

N=C(N)NC(N)NCCCCCCNC(N)NC(=N)N

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRSS1 P07477 3/20 0.31
F2 P00734 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
TMPRSS6 Q8IU80 2/20 0.31
ST14 Q9Y5Y6 2/20 0.31

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
SCHEMBL21981186 0.75
SCHEMBL25527408 0.67
SCHEMBL16724895 0.66 DPP7 (0.36) MEN1KMT2A
SCHEMBL16181240 0.65 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3069140 0.64 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2PRSS1
SCHEMBL3072659 0.64 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2PRSS1
SCHEMBL11882788 0.64 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2PRSS1
SCHEMBL434733 0.64 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2PRSS1
Synthalin SCHEMBL336302 0.64 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2PRSS1
SCHEMBL1923256 0.64 SMN1; SMN2 (0.67) MEN1CYP1A2KMT2ASMN1; SMN2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019016493-A1 COMPOSITION COSMETIC WARRIORS LIMITED (GB) 2019-01-24 WO disclosed
EP-3052200-A1 COMPOSITION Cosmetic Warriors Ltd (GB) 2016-08-10 EP disclosed
WO-2015049506-A1 COMPOSITION COSMETIC WARRIORS LIMITED (GB) 2015-04-09 WO disclosed