SCHEMBL8790903

SCHEMBL8790903

CC(=O)Nc1ccsc1-c1nnnn1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
MAPK8 P45983 3/20 0.36
MAPK10 P53779 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33

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
SCHEMBL8790565 0.86 ALDH1A1 (0.43) ALDH1A1HPGDNPC1KMT2AMAPK8
SCHEMBL8790745 0.83 ALDH1A1 (0.44) ALDH1A1HPGDNPC1KMT2AKDM4C
SCHEMBL8792739 0.82 ALDH1A1 (0.52) ALDH1A1HPGDKMT2AKDM4CMAPK8
SCHEMBL8790883 0.79 ALDH1A1 (0.52) ALDH1A1HPGDKMT2AKDM4CMAPK8
SCHEMBL8790380 0.79 ALDH1A1 (0.52) ALDH1A1HPGDNPC1KMT2AKDM4C
SCHEMBL8791619 0.78 ALDH1A1 (0.42) ALDH1A1HPGDKMT2AKDM4CSMN1; SMN2
SCHEMBL8791168 0.78 ALDH1A1 (0.40) ALDH1A1HPGDGAAMAPT
Hydrochloric Acid SCHEMBL8973452 0.78 ALDH1A1 (0.51) ALDH1A1HPGDNPC1KMT2AKDM4C
SCHEMBL8790106 0.78 ALDH1A1 (0.36) ALDH1A1HPGDKMT2AMAPK8MAPK10
SCHEMBL8791432 0.74 ALDH1A1 (0.52) ALDH1A1HPGDKMT2AKDM4CMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0534258-B1 Chiral oxazolines as dopants for liquid crystals mixtures HOFFMANN LA ROCHE (CH) 1997-05-21 EP disclosed
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
EP-0441213-B1 Chiral dioxolanes HOFFMANN LA ROCHE (CH) 1995-09-13 EP disclosed
EP-0534258-A1 Chiral oxazolines as dopants for liquid crystals mixtures F. HOFFMANN-LA ROCHE AG (CH) 1993-03-31 EP disclosed
US-5068239-A Antidiabetic agent WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-11-26 US disclosed
EP-0441213-A2 Chiral dioxolanes F. HOFFMANN-LA ROCHE AG (CH) 1991-08-14 EP disclosed
EP-0421365-A2 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1991-04-10 EP disclosed