SCHEMBL8790106

SCHEMBL8790106

CC(=O)Nc1ccsc1-c1nnnn1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
HPGD P15428 2/20 0.36
MAPK8 P45983 6/20 0.35
MAPK10 P53779 6/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PKM P14618 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
MAPK9 P45984 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8791225 0.86 MAPK1 (0.41) ALDH1A1HPGDMAPK8MAPK10LMNA
SCHEMBL8791028 0.85 KMT2A (0.32) ALDH1A1HPGDLMNANPSR1MEN1
SCHEMBL8791633 0.82 CYP2A6 (0.38) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL8791391 0.82 RAB9A (0.46) ALDH1A1MAPK8MAPK10MEN1TSHR
SCHEMBL8790385 0.81 MAPK8 (0.31) ALDH1A1MAPK8MAPK10
SCHEMBL8790636 0.80 CA2 (0.44) ALDH1A1HPGDLMNANPSR1MEN1
SCHEMBL8791593 0.79 HSD11B1 (0.36) ALDH1A1HPGDMAPK8MAPK10LMNA
SCHEMBL8791221 0.78 PIK3C3 (0.36) ALDH1A1HPGDPKMMAPT
SCHEMBL8790903 0.78 ALDH1A1 (0.46) ALDH1A1HPGDMAPK8MAPK10NPSR1
SCHEMBL8790825 0.76 PLA2G10 (0.35) ALDH1A1HPGDMAPK8MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421365-B1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMA CO LTD (JP) 1997-03-05 EP disclosed
US-RE35321-E ANTIDIABETIC AGENT WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
US-5068239-A Antidiabetic agent WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-11-26 US disclosed