SCHEMBL6998940

SCHEMBL6998940

Nc1sc2c(c1C(=O)c1ccc(OCc3ccccc3)cc1)CCN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
MAPT P10636 3/20 0.63
GAA P10253 2/20 0.63
ALDH1A1 P00352 1/20 0.63
HPGD P15428 1/20 0.63
ALOX15 P16050 1/20 0.63
HSD17B10 Q99714 1/20 0.63
KDM4E B2RXH2 1/20 0.58
ADORA1 P30542 8/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.47
LMNA P02545 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
PDE4D Q08499 1/20 0.46
POLB P06746 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45

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
SCHEMBL6994209 0.94 MAPT (0.60) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL5503933 0.92 MAPT (0.70) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL5712810 0.90 MAPT (0.65) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL5506679 0.90 KMT2A (0.64) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL5712873 0.90 MEN1 (0.64) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL6992785 0.89 MAPT (0.63) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7001450 0.87 KMT2A (0.61) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL19475110 0.86 MAPT (0.72) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7687520 0.77 MEN1 (0.53) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7681433 0.76 MEN1 (0.51) MEN1KMT2AMAPTGAAALDH1A1

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