SCHEMBL9823391

SCHEMBL9823391

COc1cc(-c2nc(C(=O)Nc3nnn[nH]3)cs2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.48
EGFR P00533 1/20 0.46
HDAC3 O15379 10/20 0.46
HDAC1 Q13547 10/20 0.46
HDAC7 Q8WUI4 10/20 0.46
HDAC8 Q9BY41 10/20 0.46
HDAC6 Q9UBN7 10/20 0.46
IRAK4 Q9NWZ3 4/20 0.45
ALDH1A1 P00352 1/20 0.44
CHEK1 O14757 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL9823363 0.87 IRAK4 (0.48) TLR7IRAK4CHEK1GAAMAPT
SCHEMBL9823479 0.83 TLR7 (0.61) TLR7IRAK4ALDH1A1CHEK1GAA
SCHEMBL9823416 0.82 IRAK4 (0.51) TLR7IRAK4ALDH1A1CHEK1
SCHEMBL9823183 0.81 IRAK4 (0.52) TLR7IRAK4ALDH1A1MAPT
SCHEMBL9823455 0.81 IRAK4 (0.59) TLR7HDAC1IRAK4ALDH1A1MAPT
SCHEMBL9823799 0.81 RAB9A (0.61) TLR7HDAC1HDAC8HDAC6IRAK4
SCHEMBL9823609 0.81 IRAK4 (0.50) TLR7IRAK4ALDH1A1CHEK1
SCHEMBL9823630 0.81 IRAK4 (0.50) TLR7IRAK4ALDH1A1CHEK1
SCHEMBL9832252 0.80 MAPT (0.43) ALDH1A1MAPT
SCHEMBL9831306 0.80 MAPT (0.49) EGFRHDAC3HDAC1HDAC7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0262873-B1 N-TETRAZOLYL THIAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-21 EP disclosed
US-4879295-A ANTIALLERGENS SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 US disclosed
EP-0262873-A1 N-tetrazolyl thiazolecarboxamide derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1988-04-06 EP disclosed