SCHEMBL8947261

SCHEMBL8947261

O=C(O)Cn1nnnc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.75
HPGD P15428 1/20 0.75
HSD11B1 P28845 4/20 0.58
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
HDAC6 Q9UBN7 1/20 0.52
KDM4C Q9H3R0 1/20 0.51
P2RX7 Q99572 2/20 0.48
HSD17B10 Q99714 2/20 0.44
TRPV1 Q8NER1 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
MGAM O43451 1/20 0.43
AMY1A P0DUB6 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43

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
SCHEMBL5966693 0.97 ALDH1A1 (0.74) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL8947331 0.93 ALDH1A1 (0.84) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL5966727 0.87 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL8947281 0.87 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL8947299 0.87 ALDH1A1 (0.66) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL8947199 0.86 ALDH1A1 (0.73) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL8947260 0.86 ALDH1A1 (0.73) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL8947164 0.86 ALDH1A1 (1.00) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL8947097 0.86 ALDH1A1 (0.60) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL8947183 0.86 ALDH1A1 (0.73) ALDH1A1HPGDHSD11B1POLBHTT

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