SCHEMBL25615684

SCHEMBL25615684

CC(C)CCN/C(N)=N/C#N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.36
RNPEP Q9H4A4 2/20 0.36
DNPEP Q9ULA0 2/20 0.36
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
MMP2 P08253 1/20 0.30
MMP8 P22894 1/20 0.30
NPC1 O15118 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL22649508 0.89 GRIN2D (0.34)
SCHEMBL2760178 0.80 CYP2D6 (0.37) ALDH1A1CYP2C19MMP8
SCHEMBL14219759 0.78
SCHEMBL13488632 0.78
SCHEMBL6960468 0.76 KDM1A (0.32) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL6751676 0.75
SCHEMBL1505135 0.75 SIGMAR1 (0.36) CYP1A2SMN1; SMN2
SCHEMBL12344484 0.74 GRIN2D (0.55) MMP2
SCHEMBL13488626 0.74 GRIN2D (0.55) MMP2
SCHEMBL9600250 0.74 ALDH1A1 (0.44) HSD17B10ALDH1A1CYP3A4CYP2C19SMN1; SMN2

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
EP-4186888-A1 COMPOUND AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ModernaTX, Inc. (US) 2023-05-31 EP disclosed