SCHEMBL8717050

SCHEMBL8717050

CN(CCOc1ccccc1C=O)c1nc(-c2ccccc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.48
GAA P10253 2/20 0.48
DHODH Q02127 1/20 0.45
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
GSTO1 P78417 5/20 0.44
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 2/20 0.42
NPC1 O15118 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL6806878 0.85 ALDH1A1 (0.48) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6806950 0.83 ATP4A (0.50) RAB9AALDH1A1TP53GAAMEN1
SCHEMBL18674619 0.79 RAB9A (0.60) RAB9AALDH1A1TP53GAAMEN1
SCHEMBL8716770 0.79 ALDH1A1 (0.43) RAB9AALDH1A1TP53GAAMEN1
SCHEMBL8716296 0.79 DHODH (0.46) ALDH1A1DHODHMEN1KMT2ASMN1; SMN2
SCHEMBL18674611 0.78 RAB9A (0.57) RAB9AALDH1A1TP53GAADHODH
SCHEMBL8719505 0.77 ALDH1A1 (0.50) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8717052 0.77 PPARG (0.54) RAB9AALDH1A1TP53MEN1KMT2A
SCHEMBL18674610 0.76 RAB9A (0.55) RAB9AALDH1A1TP53GAADHODH
SCHEMBL18674688 0.75 RAB9A (0.51) RAB9AALDH1A1TP53GAADHODH

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
US-5756525-A USING A THIAZOLIDINEDIONE COMPOUND BEECHAM GROUP PLC (GB) 1998-05-26 US disclosed