SCHEMBL21834597

SCHEMBL21834597

O=C(O)NCc1nc(-c2ccc(O)cc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
RAB9A P51151 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
LTA4H P09960 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
ROCK1 Q13464 2/20 0.47
ROCK2 O75116 1/20 0.47
MAPT P10636 5/20 0.47
NPC1 O15118 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CD74 P04233 1/20 0.47
MIF P14174 1/20 0.47
LMNA P02545 3/20 0.47
AMY1A P0DUB6 3/20 0.47
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL21205949 0.81 LTA4H (0.44) ALDH1A1RAB9AL3MBTL1LTA4HMKNK1
SCHEMBL21812750 0.80 HDAC3 (0.50) ALDH1A1RAB9AL3MBTL1LTA4HMKNK1
SCHEMBL2361567 0.80 LTA4H (0.53) ALDH1A1RAB9AL3MBTL1LTA4HMKNK1
Hydrochloric Acid SCHEMBL1930053 0.79 LTA4H (0.51) ALDH1A1RAB9AL3MBTL1LTA4HMKNK1
SCHEMBL21206103 0.79 LMNA (0.46) ALDH1A1RAB9AL3MBTL1LTA4HMKNK1
SCHEMBL18215350 0.77 MAPK1 (0.56) ALDH1A1RAB9AL3MBTL1MAPTNPC1
SCHEMBL21812948 0.76 NAMPT (0.42) ALDH1A1RAB9AL3MBTL1ROCK1ROCK2
SCHEMBL21812773 0.76 NAMPT (0.41) ALDH1A1RAB9AROCK1ROCK2MAPT
SCHEMBL2342868 0.76 CNR2 (0.62) ALDH1A1RAB9AL3MBTL1MAPTGAA
SCHEMBL21813022 0.76 MEN1 (0.44) ALDH1A1RAB9AMAPTNPC1MEN1

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-2020064175-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2020-04-02 WO disclosed