SCHEMBL7748004

SCHEMBL7748004

CC(NC(=O)C(C#N)C1(C(C)C)CCCC1)c1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
P2RX7 Q99572 3/20 0.45
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7740575 0.88 MEN1 (0.48) MEN1KMT2AP2RX7POLBLMNA
SCHEMBL7745756 0.85 MEN1 (0.46) MEN1KMT2AP2RX7POLBLMNA
SCHEMBL7745418 0.84 MEN1 (0.45) MEN1KMT2AP2RX7POLBLMNA
SCHEMBL7747996 0.84 GAA (0.46) KMT2AALDH1A1GAA
SCHEMBL19908124 0.76 MEN1 (0.52) MEN1KMT2AP2RX7POLBLMNA
Diclocymet SCHEMBL674273 0.74 MEN1 (0.50) MEN1KMT2APOLBLMNAMAPT
Diclocymet SCHEMBL42437 0.74 MEN1 (0.50) MEN1KMT2APOLBLMNAMAPT
Diclocymet SCHEMBL674274 0.74 MEN1 (0.50) MEN1KMT2APOLBLMNAMAPT
Diclocymet SCHEMBL4165786 0.74 MEN1 (0.50) MEN1KMT2APOLBLMNAMAPT
Diclocymet SCHEMBL8921616 0.74 MEN1 (0.50) MEN1KMT2APOLBLMNAMAPT

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
WO-2001014322-A1 CYCLOALKYLALKANE CARBOXYLIC ACID AMIDES, THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-03-01 WO disclosed