SCHEMBL1902249

SCHEMBL1902249

CN1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1cnc(N)s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
XIAP P98170 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
DPP4 P27487 1/20 0.38
KCNH2 Q12809 1/20 0.38
EPHX2 P34913 1/20 0.38
MET P08581 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.36
KLKB1 P03952 1/20 0.36
TACR1 P25103 3/20 0.35
F2R P25116 1/20 0.34

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
SCHEMBL1905042 1.00 MEN1 (0.39) MEN1KMT2AXIAPALDH1A1LMNA
SCHEMBL1904624 1.00 MEN1 (0.39) MEN1KMT2AXIAPALDH1A1LMNA
SCHEMBL1907208 0.98 MEN1 (0.38) MEN1KMT2AXIAPALDH1A1LMNA
SCHEMBL1902540 0.98 MEN1 (0.38) MEN1KMT2AXIAPALDH1A1LMNA
SCHEMBL1903784 0.92 MEN1 (0.47) MEN1KMT2AALDH1A1POLBTACR1
SCHEMBL1907660 0.92 MEN1 (0.47) MEN1KMT2AALDH1A1POLBTACR1
SCHEMBL1905007 0.90 MEN1 (0.40) MEN1KMT2AXIAPALDH1A1LMNA
SCHEMBL1906321 0.90 KMT2A (0.41) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL1905746 0.90 MEN1 (0.40) MEN1KMT2AXIAPALDH1A1LMNA
SCHEMBL1908228 0.90 KMT2A (0.41) MEN1KMT2AALDH1A1LMNAPOLB

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
WO-2011051673-A1 AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO claimed
WO-2011051673-A1 AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed
WO-2011051673-A1 AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed