SCHEMBL8791024

SCHEMBL8791024

CC(=O)On1nnnc1-c1ccc(Sc2ccccc2)s1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
HSD17B2 P37059 1/20 0.31
MGLL Q99685 1/20 0.31
POLB P06746 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
USP47 Q96K76 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL8791157 0.85 PKM (0.36) ALDH1A1HPGDPKM
SCHEMBL8791363 0.81 NQO2 (0.42) ALDH1A1HPGDKDM4EHSD17B2MGLL
SCHEMBL8789847 0.81 DAO (0.33) ALDH1A1HPGDKDM4EMGLLMEN1
SCHEMBL8790808 0.78 KDM4E (0.38) ALDH1A1HPGDL3MBTL1KDM4EMGLL
SCHEMBL8790845 0.77 ALDH1A1 (0.46) ALDH1A1HPGDKMT2AHSD11B1
SCHEMBL8791239 0.76 POLB (0.38) ALDH1A1KDM4EMGLLPOLBKMT2A
SCHEMBL8791140 0.75 ALDH1A1 (0.35) ALDH1A1HPGDL3MBTL1PKMMGLL
SCHEMBL8790916 0.75 KMT2A (0.38) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL8791435 0.74 RPS6KB2 (0.30)
SCHEMBL9568787 0.73 HSD11B1 (0.46) ALDH1A1PKMMGLLPOLBCYP1A2

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