SCHEMBL8947258

SCHEMBL8947258

CCOC(=O)C(C)n1nnnc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
CYP19A1 P11511 1/20 0.44
TP53 P04637 4/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD11B1 P28845 1/20 0.43
MGLL Q99685 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 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
SCHEMBL8947138 0.84 KMT2A (0.49) ALDH1A1KDM4ETSHRTDP1HSD11B1
SCHEMBL4407210 0.75 TDP1 (0.65) MAPTL3MBTL1ALDH1A1TSHRTDP1
SCHEMBL10783107 0.75 MAPK1 (0.41) MAPTL3MBTL1ALDH1A1KDM4EGLA
SCHEMBL9877332 0.74 MAPT (0.54) MAPTL3MBTL1ALDH1A1KDM4EGLA
SCHEMBL8947294 0.73 MAPK1 (0.61) L3MBTL1ALDH1A1KDM4EHPGDCYP19A1
SCHEMBL8947161 0.72 TP53 (0.46) MAPTALDH1A1CYP19A1TP53TSHR
SCHEMBL9799766 0.72 MAPT (0.68) MAPTL3MBTL1ALDH1A1KDM4EGLA
SCHEMBL8947182 0.71 HSD11B1 (0.65) MAPTALDH1A1CYP19A1TSHRHSD11B1
SCHEMBL12781922 0.70 MGLL (0.51) MAPTL3MBTL1ALDH1A1HPGDCYP19A1
SCHEMBL8947145 0.69 HSD11B1 (0.59) ALDH1A1CYP19A1TSHRHSD11B1MAPK1

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