SCHEMBL8947294

SCHEMBL8947294

CCOC(=O)Cn1nnnc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.61
TSHR P16473 1/20 0.61
HTT P42858 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.54
HSD11B1 P28845 2/20 0.53
ALDH1A1 P00352 4/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 2/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
CYP19A1 P11511 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL8947156 0.87 MAPK1 (0.60) MAPK1TSHRHTTMEN1KMT2A
SCHEMBL5966689 0.87 TRPV1 (0.59) TSHRHTTKMT2ASMN1; SMN2GAA
SCHEMBL5966710 0.86 CYP1A2 (0.59) MAPK1TSHRHTTHSD11B1ALDH1A1
SCHEMBL9568925 0.86 ALDH1A1 (0.54) MAPK1TSHRHTTMEN1KMT2A
SCHEMBL8947182 0.86 HSD11B1 (0.65) MAPK1TSHRHTTGAAHSD11B1
SCHEMBL8947310 0.84 TRPV1 (0.63) TSHRHTTKMT2ASMN1; SMN2GAA
SCHEMBL8947128 0.84 MAPK1 (0.53) MAPK1TSHRHTTMEN1KMT2A
SCHEMBL8947145 0.84 HSD11B1 (0.59) MAPK1TSHRHTTGAAHSD11B1
SCHEMBL8947249 0.83 MEN1 (0.59) TSHRHTTMEN1KMT2AHSD11B1
SCHEMBL8947132 0.83 HSD11B1 (0.57) MAPK1TSHRHTTGAAHSD11B1

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