SCHEMBL8947285

SCHEMBL8947285

CSc1ccc(-c2nnnn2CC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
HPGD P15428 1/20 0.68
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.45
HSD11B1 P28845 2/20 0.44
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
STAT5B P51692 1/20 0.39
HAO1 Q9UJM8 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL8947331 0.88 ALDH1A1 (0.84) ALDH1A1HPGDHSD11B1KDM4CHDAC6
SCHEMBL5966727 0.85 ALDH1A1 (0.75) ALDH1A1HPGDMAPTHSD11B1KDM4C
SCHEMBL8947218 0.85 MAPT (0.49) ALDH1A1HPGDMAPTMAPK1HSD11B1
SCHEMBL8947281 0.82 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1KDM4CHDAC6
SCHEMBL8947261 0.82 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1KDM4CHDAC6
SCHEMBL5966693 0.82 ALDH1A1 (0.74) ALDH1A1HPGDHSD11B1KDM4CHDAC6
SCHEMBL8947199 0.81 ALDH1A1 (0.73) ALDH1A1HPGDHSD11B1KDM4CHDAC6
SCHEMBL8947183 0.81 ALDH1A1 (0.73) ALDH1A1HPGDHSD11B1KDM4CHDAC6
SCHEMBL8947260 0.81 ALDH1A1 (0.73) ALDH1A1HPGDHSD11B1KDM4CHDAC6
SCHEMBL8947164 0.81 ALDH1A1 (1.00) ALDH1A1HPGDHSD11B1KDM4CHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed