SCHEMBL8790795

SCHEMBL8790795

O=C(O)Cn1nnnc1-c1ccc(Br)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
KDM4C Q9H3R0 1/20 0.41
HDAC6 Q9UBN7 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 3/20 0.36
HSD11B1 P28845 2/20 0.35
MEN1 O00255 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL8790264 0.85 ALDH1A1 (0.55) ALDH1A1HPGDKDM4CHDAC6HDAC3
SCHEMBL8791353 0.84 TRPV1 (0.41) ALDH1A1HPGDHDAC6HDAC3HDAC4
SCHEMBL8792333 0.82 ALDH1A1 (0.55) ALDH1A1HPGDKDM4CHDAC6HDAC1
SCHEMBL8790035 0.81 ALDH1A1 (0.50) ALDH1A1HPGDKDM4CHDAC6HDAC3
SCHEMBL8791041 0.80 ALDH1A1 (0.49) ALDH1A1HPGDKDM4CHDAC6HDAC3
SCHEMBL8791245 0.78 ALDH1A1 (0.47) ALDH1A1HPGDKDM4CHDAC6HDAC3
SCHEMBL9845581 0.78 ALDH1A1 (0.47) ALDH1A1HPGDKDM4CHDAC6HDAC3
SCHEMBL5817039 0.77 KMT2A (0.62) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL8791092 0.77 ALDH1A1 (0.46) ALDH1A1HPGDKDM4C
SCHEMBL8790845 0.77 ALDH1A1 (0.46) ALDH1A1HPGDKDM4CHDAC6HDAC3

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-5068239-A Antidiabetic agent WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-11-26 US disclosed
EP-0421365-A2 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1991-04-10 EP disclosed