SCHEMBL9690737

SCHEMBL9690737

O=C(O)Cn1nnnc1-c1ccc2cccsc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.41
HSD11B1 P28845 3/20 0.40
KDM4C Q9H3R0 1/20 0.40
HDAC6 Q9UBN7 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
CYP3A4 P08684 1/20 0.39
SRC P12931 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL8790045 0.80 KMT2A (0.63) ALDH1A1HPGDKMT2AKDM4CHDAC6
SCHEMBL8947097 0.79 ALDH1A1 (0.60) ALDH1A1HPGDHSD11B1KDM4CHDAC6
SCHEMBL8947261 0.78 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1KDM4CHDAC6
SCHEMBL5966693 0.77 ALDH1A1 (0.74) ALDH1A1HPGDHSD11B1KDM4CHDAC6
SCHEMBL8947331 0.77 ALDH1A1 (0.84) ALDH1A1HPGDHSD11B1KDM4CHDAC6
SCHEMBL8790380 0.76 ALDH1A1 (0.52) ALDH1A1HPGDKMT2AHSD11B1KDM4C
SCHEMBL8792739 0.76 ALDH1A1 (0.52) ALDH1A1HPGDKMT2AHSD11B1KDM4C
SCHEMBL8790883 0.76 ALDH1A1 (0.52) ALDH1A1HPGDKMT2AHSD11B1KDM4C
SCHEMBL8791432 0.76 ALDH1A1 (0.52) ALDH1A1HPGDKMT2AHSD11B1KDM4C
Hydrochloric Acid SCHEMBL8973452 0.75 ALDH1A1 (0.51) ALDH1A1HPGDKMT2AHSD11B1KDM4C

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-0506011-A1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-30 EP disclosed