SCHEMBL27901075

SCHEMBL27901075

CCOc1ccc(-c2cc(Br)ccc2Sc2ccc(Br)cc2-c2ccc(OCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.45
NPC1 O15118 6/20 0.41
MAPT P10636 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
PKM P14618 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MITF O75030 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
LTA4H P09960 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL29893480 0.81 FFAR4 (0.56) NQO1NPC1MAPTRAB9ASMN1; SMN2
Formaldehyde SCHEMBL29161042 0.77 FFAR4 (0.55) NQO1MAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL6610130 0.77 NQO1 (0.64) NQO1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL18358 0.74 NQO1 (0.74) NQO1MAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL9804312 0.72 NQO1 (0.70) NQO1NPC1MAPTSMN1; SMN2TDP1
SCHEMBL28039240 0.71 NQO1 (0.50) NQO1NPC1MAPTRAB9ATDP1
SCHEMBL9223505 0.71 FFAR4 (0.46) NQO1NPC1MAPTRAB9ATDP1
Methyl Alcohol SCHEMBL27383198 0.70 NQO1 (0.67) NQO1NPC1MAPTRAB9ATDP1
Bromoethane SCHEMBL9702775 0.70 NQO1 (0.67) NQO1MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL18417193 0.70 NQO1 (0.82) NQO1NPC1RAB9ASMN1; SMN2TDP1

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-102827122-A Glucoside derivate Shandong henry medical science and technology co ltd 2012-12-19 CN disclosed