SCHEMBL7687520

SCHEMBL7687520

COc1ccc(C(=O)c2c(N)sc3c2CN(C(=O)OCc2ccccc2)CC3)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PTGDR2 Q9Y5Y4 19/20 0.51

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
SCHEMBL7681433 0.92 MEN1 (0.51) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL7677377 0.80 PRKCZ (0.46) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL5503933 0.80 MAPT (0.70) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL6992785 0.79 MAPT (0.63) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL5712810 0.79 MAPT (0.65) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL7682075 0.79 MEN1 (0.52) MEN1MAPTKMT2A
SCHEMBL5712873 0.78 MEN1 (0.64) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL7001600 0.78 ADORA1 (0.67) MEN1GAAMAPTKMT2A
SCHEMBL5506679 0.78 KMT2A (0.64) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL7684068 0.78 MAPT (0.53) MEN1ALDH1A1GAAMAPTHPGD

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-6403606-B1 ANTIINFLAMMATORY, ANTIARTHRITIS, A DRUG FOR INHIBITING BONE RESORPTION, IMMUNOSUPPRESSANT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2002-06-11 US disclosed
US-6046189-A ANTI-INFLAMMATORY DRUG, PARTICULARLY, A DRUG FOR PREVENTING OR TREATING ARTHRITIS, A DRUG FOR INHIBITING BONE RESORPTION, IMMUNOSUPPRESSANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-04 US disclosed
EP-0900223-A1 THIENOPYRIDINE DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1999-03-10 EP disclosed
WO-1997040050-A1 THIENOPYRIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed