SCHEMBL19786014

SCHEMBL19786014

COc1ccc(SC/C=C/SSCc2ccc(C)c(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
DAO P14920 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DRD2 P14416 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
SCHEMBL19786119 0.90 APP (0.39) APPMAPTLMNAL3MBTL1MAOB
SCHEMBL19785872 0.87 ADORA2A (0.37) APPMAOBMAOAPOLBRIOK2
SCHEMBL19786028 0.86 APP (0.47) APPMAPTNPC1MAOBMAOA
SCHEMBL19785649 0.86 APP (0.47) APPMAPTNPC1MAOBMAOA
SCHEMBL21189963 0.84 OPRK1 (0.41) APPMAPTLMNAL3MBTL1MAOB
SCHEMBL21190103 0.84 OPRK1 (0.41) APPMAPTLMNAL3MBTL1MAOB
SCHEMBL21189918 0.82 APP (0.46) APPMAPTLMNAL3MBTL1NPC1
SCHEMBL21190022 0.82 APP (0.46) APPMAPTL3MBTL1NPC1RAB9A
SCHEMBL21190042 0.82 APP (0.46) APPMAPTL3MBTL1NPC1RAB9A
SCHEMBL21189903 0.82 APP (0.46) APPMAPTLMNAL3MBTL1NPC1

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-2018012947-A1 NOVEL ORGANIC SULFUR COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER OR AN INFLAMMATORY DISEASE, CONTAINING SAME AS ACTIVE INGREDIENT 숙명여자대학교 산학협력단 2018-01-18 WO disclosed