SCHEMBL30339130

SCHEMBL30339130

CSCCNC(=O)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.68
NPC1 O15118 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
ALDH1A1 P00352 1/20 0.68
THRB P10828 1/20 0.62
KMT2A Q03164 7/20 0.62
MEN1 O00255 5/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
EPHX2 P34913 3/20 0.58
MAPT P10636 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
USP2 O75604 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL8255841 1.00 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1THRB
SCHEMBL14042593 0.86 RAB9A (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1THRB
SCHEMBL25328235 0.85 THRB (0.77) RAB9ANPC1SMN1; SMN2ALDH1A1THRB
SCHEMBL29572289 0.84 THRB (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1THRB
SCHEMBL14355784 0.84 RAB9A (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1THRB
SCHEMBL10595233 0.83 RAB9A (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1THRB
SCHEMBL2497123 0.83 THRB (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1THRB
SCHEMBL6526112 0.82 RAB9A (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1THRB
SCHEMBL17822214 0.82 EPHX2 (0.75) RAB9ANPC1SMN1; SMN2ALDH1A1THRB
SCHEMBL9809561 0.82 RAB9A (0.76) RAB9ANPC1SMN1; SMN2ALDH1A1THRB

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-4157247-A1 ANTI-VIRAL THERAPY Novabiotics Limited (GB) 2023-04-05 EP disclosed