SCHEMBL29660348

SCHEMBL29660348

CCOc1ccc(-c2nc(COC(=O)c3csc(-c4ccc(OCC)cc4)n3)cs2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.62
NPC1 O15118 8/20 0.62
MAPT P10636 7/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 3/20 0.58
GAA P10253 3/20 0.55
TP53 P04637 4/20 0.51
MAPK1 P28482 3/20 0.50
TSHR P16473 3/20 0.50
HSP90AA1 P07900 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL29911141 0.93 RAB9A (0.54) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL29660366 0.89 RAB9A (0.67) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL29911367 0.88 RAB9A (0.60) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL29911227 0.86 MMP13 (0.53) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL29911283 0.84 RAB9A (0.51) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL29911333 0.83 RAB9A (0.53) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL22939614 0.83 RAB9A (0.53) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL22939629 0.82 RAB9A (0.49) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL29911241 0.82 RAB9A (0.54) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL29660304 0.82 RAB9A (0.54) RAB9ANPC1MAPTSMN1; SMN2KDM4E

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
EP-4003955-A1 INHIBITORS OF HUMAN ATGL Karl-Franzens-Universität Graz (AT) 2022-06-01 EP disclosed