SCHEMBL1736462

SCHEMBL1736462

COc1ccc(-c2cnc(Nc3ccc(OCCN4CCC(OC(=O)O)CC4)cc3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.47
KMT2A Q03164 1/20 0.45
DRD3 P35462 7/20 0.44
MCHR1 Q99705 1/20 0.44
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
BRD4 O60885 1/20 0.44
RET P07949 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
FLT3 P36888 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
BRAF P15056 1/20 0.44
DRD2 P14416 2/20 0.43
PTK2 Q05397 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL1735361 0.90 OPRM1 (0.44) HDAC1HDAC6HDAC3HDAC2
SCHEMBL1735235 0.89 LTA4H (0.52) KCNA5KMT2ADRD3MCHR1JAK2
SCHEMBL14177214 0.87 KCNA5 (0.47) KCNA5KMT2ADRD3MCHR1JAK2
SCHEMBL13605282 0.86 PRKDC (0.48) KCNA5DRD3MCHR1JAK2JAK3
SCHEMBL13605326 0.86 MCHR1 (0.55) KCNA5DRD3MCHR1JAK2JAK3
SCHEMBL1735370 0.84 JAK2 (0.44) MCHR1JAK2JAK3HDAC1HDAC6
SCHEMBL1735396 0.84 KCNH2 (0.55) KMT2AJAK2JAK3HDAC1HDAC6
SCHEMBL13605293 0.83 MCHR1 (0.61) MCHR1JAK2JAK3HDAC1HDAC6
SCHEMBL13605387 0.83 DRD3 (0.68) KCNA5DRD3DRD2HRH2HRH1
SCHEMBL13605385 0.82 MCHR1 (0.52) KCNA5DRD3MCHR1BRAFRAB9A

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