SCHEMBL8767007

SCHEMBL8767007

CCc1ncnc(N(C2CCCCC2)C(C)(C)F)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.32
LMNA P02545 1/20 0.32
JAK1 P23458 4/20 0.32
JAK3 P52333 4/20 0.32
JAK2 O60674 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL8120079 0.90 TP53 (0.33) TP53LMNAJAK1JAK3JAK2
SCHEMBL8695199 0.74 JAK3 (0.33) TP53JAK1JAK3JAK2MEN1
SCHEMBL8650466 0.68 JAK2 (0.32) JAK1JAK3JAK2
SCHEMBL9074942 0.68 MEN1 (0.34) TP53JAK1JAK3JAK2MEN1
SCHEMBL9034315 0.67 JAK3 (0.33) JAK1JAK3JAK2
SCHEMBL8525079 0.64 MEN1 (0.40) MEN1KMT2A
SCHEMBL13064098 0.64 SELE (0.35) RXFP1
SCHEMBL8490387 0.64
SCHEMBL28108513 0.64
SCHEMBL8488727 0.63 KDM4E (0.37) LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787128-A1 SUBSTITUTED CYCLOALKYLAMINO AND CYCLOALKOXY HETEROCYCLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo GmbH (DE) 1997-08-06 EP disclosed
WO-1996011913-A1 SUBSTITUTED CYCLOALKYLAMINO AND CYCLOALKOXY HETEROCYCLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-04-25 WO disclosed