SCHEMBL8947097

SCHEMBL8947097

O=C(O)Cn1nnnc1-c1ccccc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
HPGD P15428 1/20 0.60
HSD11B1 P28845 5/20 0.50
KDM4C Q9H3R0 1/20 0.50
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
MAPT P10636 1/20 0.44
P2RX7 Q99572 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.43
TP53 P04637 1/20 0.42

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 0.89 ALDH1A1 (0.74) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL8947245 0.86 ALDH1A1 (0.55) ALDH1A1HPGDHSD11B1KDM4CCA12
SCHEMBL8947261 0.86 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL9688576 0.85 ALDH1A1 (0.51) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL9170587 0.85 P2RX7 (0.55) ALDH1A1HPGDHSD11B1KDM4CCA12
SCHEMBL8947336 0.84 TRPV1 (0.56) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL9469700 0.82 ALDH1A1 (0.51) ALDH1A1HPGDHSD11B1KDM4CMAPT
SCHEMBL8947331 0.82 ALDH1A1 (0.84) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL8792333 0.80 ALDH1A1 (0.55) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL8791787 0.80 ALDH1A1 (0.55) ALDH1A1HPGDHSD11B1KDM4CPOLB

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