SCHEMBL22069396

SCHEMBL22069396

COC(=O)C(C(=O)OC)C(=O)c1ccc(Cl)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.49
ATF1 P18846 7/20 0.38
NFKB1 P19838 7/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.36
GAA P10253 2/20 0.36
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35
TUBA1A Q71U36 2/20 0.35

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
SCHEMBL22102821 0.83 XPO1 (0.44) XPO1ATF1NFKB1MAPTMEN1
SCHEMBL30751960 0.81 XPO1 (0.55) XPO1ATF1NFKB1MAPTKMT2A
SCHEMBL28830749 0.81 XPO1 (0.55) XPO1ATF1NFKB1MAPTKMT2A
SCHEMBL22098582 0.79 XPO1 (0.47) XPO1ATF1NFKB1
SCHEMBL20808527 0.77 XPO1 (0.60) XPO1ATF1NFKB1MAPTMEN1
SCHEMBL22653505 0.75 LMNA (0.37) MAPTMEN1KMT2ATUBB4ATUBB
SCHEMBL22098611 0.75 XPO1 (0.49) XPO1ATF1NFKB1MAPTGAA
SCHEMBL474055 0.74 KDM4E (0.57) XPO1ATF1NFKB1MAPTKDM4E
SCHEMBL1267198 0.74 XPO1 (0.56) XPO1ATF1NFKB1KMT2AGAA
SCHEMBL21645062 0.74 XPO1 (0.56) XPO1ATF1NFKB1MAPTLMNA

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
WO-2020120284-A1 PREPARATION OF 6-HALO-2-(HALOALKYL)-3-ACYLPYRIDINES AND INTERMEDIATES THEREFOR BAYER AKTIENGESELLSCHAFT (DE) 2020-06-18 WO disclosed
WO-2020120284-A1 PREPARATION OF 6-HALO-2-(HALOALKYL)-3-ACYLPYRIDINES AND INTERMEDIATES THEREFOR BAYER AKTIENGESELLSCHAFT (DE) 2020-06-18 WO disclosed
EP-3666759-A1 PREPARATION OF 6-HALO-2-(HALOALKYL)-3-ACYLPYRIDINES AND INTERMEDIATES THEREFOR Bayer Aktiengesellschaft (DE) 2020-06-17 EP disclosed
EP-3666759-A1 PREPARATION OF 6-HALO-2-(HALOALKYL)-3-ACYLPYRIDINES AND INTERMEDIATES THEREFOR Bayer Aktiengesellschaft (DE) 2020-06-17 EP disclosed