SCHEMBL6992785

SCHEMBL6992785

CCc1ccc(C(=O)c2c(N)sc3c2CCN(C(=O)OCc2ccccc2)C3)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
GAA P10253 4/20 0.63
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.63
ALOX15 P16050 1/20 0.63
HSD17B10 Q99714 1/20 0.63
KDM4E B2RXH2 2/20 0.55
ADORA1 P30542 7/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
PDE4D Q08499 1/20 0.52
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TP53 P04637 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
SCHEMBL7001450 0.93 KMT2A (0.61) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL5503933 0.92 MAPT (0.70) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL5712810 0.90 MAPT (0.65) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL6994209 0.90 MAPT (0.60) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL5506679 0.90 KMT2A (0.64) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL5712873 0.90 MEN1 (0.64) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL6998940 0.89 MEN1 (0.63) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL19475110 0.86 MAPT (0.72) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL7687520 0.79 MEN1 (0.53) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL8199652 0.78 MAPT (0.62) MAPTKMT2AMEN1GAAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087977-B1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 EP disclosed
US-6214838-B1 WHICH ARE STABLE TO METABOLISM BY THE BODY AND EXHIBITS ANTI-INFLAMMATORY ACTIVITY, BONE RESORPTION INHIBITORY ACTIVITY AND ACTIVITY IN INHIBITING PRODUCTION OF IMMUNOCYTOKINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-10 US disclosed