SCHEMBL19908124

SCHEMBL19908124

CC(NC(=O)C(C#N)C(C)C)c1ccc(Cl)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
P2RX7 Q99572 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
CTSL P07711 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.40

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
Diclocymet SCHEMBL4165786 0.84 MEN1 (0.50) MEN1KMT2ALMNAPOLBMAPT
Diclocymet SCHEMBL8921616 0.84 MEN1 (0.50) MEN1KMT2ALMNAPOLBMAPT
Diclocymet SCHEMBL42437 0.84 MEN1 (0.50) MEN1KMT2ALMNAPOLBMAPT
Diclocymet SCHEMBL674273 0.84 MEN1 (0.50) MEN1KMT2ALMNAPOLBMAPT
Diclocymet SCHEMBL674274 0.84 MEN1 (0.50) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL15144396 0.80 MEN1 (0.48) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL12143440 0.79 MEN1 (0.47) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL7740575 0.77 MEN1 (0.48) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL7748004 0.76 MEN1 (0.47) MEN1KMT2ALMNAPOLBMAPT
Diclocymet SCHEMBL6052765 0.75 MEN1 (0.42) MEN1KMT2ALMNAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802197-B1 FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS BAYER IP GMBH (DE) 2018-02-28 EP disclosed