SCHEMBL6576409

SCHEMBL6576409

CN(C)C(CC(=O)NCc1ccccc1)SCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 2/20 0.55
EPHX2 P34913 1/20 0.48
GAA P10253 2/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MCL1 Q07820 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL6574182 0.85 SLC6A3 (0.45) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL6576148 0.82 CYP2C19 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL8668132 0.80 CYP2C19 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL5866871 0.75 ALDH1A1 (0.71) MEN1KMT2AHPGDEPHX2GAA
SCHEMBL5907663 0.73 MEN1 (0.65) MEN1KMT2AHPGDGAAALDH1A1
SCHEMBL21233937 0.73 MEN1 (0.65) MEN1KMT2AHPGDGAAALDH1A1
SCHEMBL6578366 0.73 CYP2C19 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL20734724 0.72 KMT2A (0.63) MEN1KMT2AHPGDEPHX2GAA
SCHEMBL15514213 0.72 KMT2A (0.63) MEN1KMT2AHPGDEPHX2GAA
SCHEMBL6403394 0.72 KMT2A (0.63) MEN1KMT2AHPGDEPHX2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0870762-B1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2004-04-28 EP disclosed
EP-0870762-A1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed