SCHEMBL27396282

SCHEMBL27396282

CN(C)CCNC(=N)NC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 1/20 0.41
PRMT3 O60678 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT1 Q99873 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HRH4 Q9H3N8 2/20 0.35
CYP1A2 P05177 1/20 0.35
HRH2 P25021 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.34
DNM1 Q05193 1/20 0.34
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL10975324 0.84 CA1 (0.47) CA1CA2CA12CA9PRMT3
SCHEMBL9721437 0.82
SCHEMBL11251841 0.82 CA1 (0.50) CA1CA2CA12CA9PRMT3
Iodide SCHEMBL7292011 0.81 CA1 (0.42) CA1CA2CA12CA9PRMT3
SCHEMBL27288353 0.80 ALDH1A1 (0.39) CYP2C19ALDH1A1CYP1A2MAPK1POLB
SCHEMBL674969 0.79 MEN1 (0.32) CYP1A2SMN1; SMN2
SCHEMBL9290869 0.78 CA1 (0.43) CA1CA2CA12CA9PRMT3
Hydrochloric Acid SCHEMBL11302631 0.77 CA1 (0.42) CA1CA2CA12CA9PRMT3
SCHEMBL25291813 0.76
SCHEMBL668625 0.76 MMP1 (0.32)

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
WO-2024123663-A1 ANTIMICROBIAL COMPOUNDS SRI INTERNATIONAL (US) 2024-06-13 WO disclosed