SCHEMBL18496402

SCHEMBL18496402

CC1(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C1(F)F)C2(F)F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL328090 0.86 MEN1 (0.38) MEN1KMT2ATDP1
SCHEMBL17831505 0.81 MEN1 (0.61) MEN1KMT2ATDP1
SCHEMBL4417153 0.80 MEN1 (0.70) MEN1KMT2ATDP1
SCHEMBL10428033 0.80 MEN1 (0.70) MEN1KMT2ATDP1
SCHEMBL4411639 0.77 MEN1 (0.33) MEN1KMT2ATDP1
SCHEMBL419298 0.77 MEN1 (0.43) MEN1KMT2ATDP1
SCHEMBL3458732 0.76 MEN1 (0.39) MEN1KMT2ATDP1
SCHEMBL112086 0.76 MEN1 (0.39) MEN1KMT2ATDP1
SCHEMBL1608601 0.76 MEN1 (0.39) MEN1KMT2ATDP1
SCHEMBL21851606 0.76 MEN1 (0.53) MEN1KMT2ATDP1

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
EP-3334801-B1 MATERIAL COMBINATION MERCK PATENT GMBH (DE) 2020-05-27 EP disclosed
US-20180237696-A1 MATERIAL COMBINATION MERCK PATENT GMBH (DE) 2018-08-23 US disclosed
EP-3334801-A1 MATERIAL COMBINATION Merck Patent GmbH (DE) 2018-06-20 EP disclosed
WO-2017025167-A1 MATERIAL COMBINATION MERCK PATENT GMBH (DE) 2017-02-16 WO disclosed