SCHEMBL30926166

SCHEMBL30926166

c1ccc2nc(-c3nc4c(ccc5ccccc54)s3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.46
NPC1 O15118 9/20 0.41
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 6/20 0.41
ALDH1A1 P00352 5/20 0.41
AR P10275 5/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
XIAP P98170 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TGFBR1 P36897 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 4/20 0.38
MAPT P10636 3/20 0.38
PKM P14618 3/20 0.38

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
SCHEMBL30108095 0.81 PTPN11 (0.40) RAB9ANPC1KDM4EHSD17B10ALDH1A1
SCHEMBL30429916 0.80 RAB9A (0.58) RAB9ANPC1KDM4EHSD17B10ALDH1A1
SCHEMBL2245316 0.80 RAB9A (0.58) RAB9ANPC1KDM4EHSD17B10ALDH1A1
SCHEMBL21000677 0.79 RAB9A (0.43) RAB9ANPC1KDM4EHSD17B10ALDH1A1
SCHEMBL19452558 0.78 NPC1 (0.42) RAB9ANPC1KDM4EHSD17B10ALDH1A1
SCHEMBL2964080 0.77 MIF (0.60) RAB9ANPC1KDM4EHSD17B10ALDH1A1
SCHEMBL24477031 0.77 KDM4E (0.44) RAB9ANPC1KDM4EHSD17B10ALDH1A1
SCHEMBL29724159 0.77 KDM4E (0.44) RAB9ANPC1KDM4EHSD17B10ALDH1A1
SCHEMBL31058424 0.74 RAB9A (0.56) RAB9ANPC1KDM4EHSD17B10ALDH1A1
SCHEMBL13801129 0.74 RAB9A (0.56) RAB9ANPC1KDM4EHSD17B10ALDH1A1

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
CN-115417833-B Synthesis method of 2-amido naphtho [1,2-d ] thiazole 池州学院 2024-05-28 CN disclosed