SCHEMBL28615698

SCHEMBL28615698

Cc1ccc2cc(-c3cn4ccccc4n3)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.61
NPC1 O15118 11/20 0.61
KDM4E B2RXH2 10/20 0.61
PKM P14618 6/20 0.61
KMT2A Q03164 4/20 0.61
GFER P55789 2/20 0.61
MEN1 O00255 2/20 0.61
EPHX2 P34913 1/20 0.61
GAA P10253 1/20 0.61
MIF P14174 1/20 0.61
SMN1; SMN2 Q16637 8/20 0.59
ALDH1A1 P00352 6/20 0.59
HPGD P15428 4/20 0.59
TP53 P04637 3/20 0.59
MAPK1 P28482 2/20 0.59
TSHR P16473 2/20 0.59
HSD17B10 Q99714 2/20 0.59
POLB P06746 2/20 0.57
MAPT P10636 4/20 0.56
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL11886030 0.94 RAB9A (0.62) RAB9ANPC1KDM4EPKMKMT2A
SCHEMBL29614084 0.88 RAB9A (0.68) RAB9ANPC1KDM4EPKMKMT2A
SCHEMBL13325743 0.88 RAB9A (0.68) RAB9ANPC1KDM4EPKMKMT2A
Bromide SCHEMBL6481606 0.86 RAB9A (0.66) RAB9ANPC1KDM4EPKMKMT2A
SCHEMBL6388717 0.86 RAB9A (0.71) RAB9ANPC1KDM4EPKMKMT2A
SCHEMBL6394862 0.85 CASP3 (0.60) RAB9ANPC1KDM4EPKMKMT2A
SCHEMBL13325896 0.84 ALDH1A3 (0.71) RAB9ANPC1KDM4EPKMKMT2A
SCHEMBL13454289 0.82 RAB9A (0.61) RAB9ANPC1KDM4EPKMKMT2A
SCHEMBL13325752 0.82 SMN1; SMN2 (0.70) RAB9ANPC1KDM4EPKMKMT2A
SCHEMBL1691846 0.82 NPC1 (0.68) RAB9ANPC1KDM4EPKMKMT2A

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-108727373-B Catalytic synthesis method of C-3-aryl seleno-imidazopyridine compound 青岛科技大学 2021-08-20 CN disclosed