SCHEMBL8947337

SCHEMBL8947337

CCCN(CCC)C(=O)c1ccc(-c2nnnn2CC(=O)OCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 5/20 0.43
HPGD P15428 1/20 0.43
MLYCD O95822 1/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
HSD11B1 P28845 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
SCHEMBL8947298 0.87 ALDH1A1 (0.59) ALDH1A1HPGDMLYCDMAPTGABRA1
SCHEMBL8947156 0.80 MAPK1 (0.60) MAPK1ALDH1A1HPGDTSHRNPSR1
SCHEMBL8947157 0.80 MAPK1 (0.53) MAPK1ALDH1A1HPGDTSHRNPSR1
SCHEMBL8947294 0.79 MAPK1 (0.61) MAPK1ALDH1A1HPGDTSHRL3MBTL1
SCHEMBL8947162 0.76 HPGD (0.49) MAPK1ALDH1A1HPGDTSHRL3MBTL1
SCHEMBL8947317 0.73 ALDH1A1 (0.57) MAPK1ALDH1A1HPGDTSHRKDM4E
SCHEMBL9568720 0.72 MAPK1 (0.43) MAPK1ALDH1A1HPGDHSD11B1
SCHEMBL9568775 0.71 NPSR1 (0.50) MAPK1ALDH1A1HPGDTSHRNPSR1
SCHEMBL8947128 0.71 MAPK1 (0.53) MAPK1ALDH1A1HPGDTSHRNPSR1
SCHEMBL8118104 0.71 MAPK1 (0.53) MAPK1ALDH1A1HPGDTSHRNPSR1

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