SCHEMBL1736739

SCHEMBL1736739

COc1ccc(-c2cnc(Nc3ccc(CN4CCC(C(N)=O)CC4)cc3)nc2)cc1.COc1ccc(-c2cnc(Nc3ccc(CN4CCCC(C(N)=O)C4)cc3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
FLT3 P36888 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
GAS6 Q14393 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1734444 0.97 KDM4E (0.55) KDM4ELMNASMN1; SMN2GLAGAA
SCHEMBL1735209 0.93 NPC1 (0.49) KDM4EHRH3KMT2ANPC1RAB9A
SCHEMBL1735211 0.89 KDM4E (0.58) KDM4ELMNASMN1; SMN2GLAKMT2A
SCHEMBL1734298 0.88 DRD3 (0.48) KDM4ELMNASMN1; SMN2GLAHRH3
SCHEMBL13605415 0.87 KDM4E (0.50) KDM4ELMNASMN1; SMN2GLAHRH3
SCHEMBL1735223 0.87 S1PR5 (0.52) KDM4ELMNASMN1; SMN2GLAHRH3
SCHEMBL13605401 0.86 LMNA (0.65) KDM4ELMNASMN1; SMN2GLAGAA
SCHEMBL13605333 0.85 LMNA (0.47) LMNASMN1; SMN2GLAKMT2AFLT3
SCHEMBL1735198 0.84 AVPR1B (0.48) HRH3ALDH1A1L3MBTL1
SCHEMBL1735437 0.84 KDM4E (0.49) KDM4ELMNASMN1; SMN2GLAHRH3

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-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP claimed