SCHEMBL8947183

SCHEMBL8947183

O=C(O)Cn1nnnc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
HPGD P15428 1/20 0.73
HSD11B1 P28845 5/20 0.50
HDAC6 Q9UBN7 1/20 0.48
KDM4C Q9H3R0 1/20 0.43
STAT5B P51692 1/20 0.43
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
P2RX7 Q99572 1/20 0.40
LMNA P02545 1/20 0.40
PTGS2 P35354 1/20 0.39

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 0.92 ALDH1A1 (0.84) ALDH1A1HPGDHSD11B1HDAC6KDM4C
SCHEMBL8947281 0.86 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1HDAC6KDM4C
SCHEMBL8947261 0.86 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1HDAC6KDM4C
SCHEMBL5966727 0.86 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1HDAC6KDM4C
SCHEMBL5966693 0.85 ALDH1A1 (0.74) ALDH1A1HPGDHSD11B1HDAC6KDM4C
SCHEMBL8947260 0.84 ALDH1A1 (0.73) ALDH1A1HPGDHSD11B1HDAC6KDM4C
SCHEMBL8947199 0.84 ALDH1A1 (0.73) ALDH1A1HPGDHSD11B1HDAC6KDM4C
SCHEMBL8947164 0.84 ALDH1A1 (1.00) ALDH1A1HPGDHSD11B1HDAC6KDM4C
SCHEMBL8947365 0.82 ALDH1A1 (0.69) ALDH1A1HPGDHSD11B1HDAC6KDM4C
SCHEMBL8947327 0.81 HPGD (0.60) ALDH1A1HPGDHSD11B1LMNA

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