SCHEMBL18155993

SCHEMBL18155993

CNCC1CCN(N)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
NCF1 P14598 1/20 0.34
CARM1 Q86X55 2/20 0.34
PRMT6 Q96LA8 2/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
PRMT1 Q99873 1/20 0.30
PRMT8 Q9NR22 1/20 0.30
CXCR4 P61073 1/20 0.30

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
SCHEMBL1488427 0.78 NCF1 (0.52) L3MBTL1NCF1CARM1PRMT6ROCK2
SCHEMBL21649545 0.77 L3MBTL1 (0.46) L3MBTL1NCF1CARM1PRMT6ROCK2
SCHEMBL22519229 0.76 L3MBTL1 (0.41) L3MBTL1NCF1CARM1PRMT6ROCK2
SCHEMBL18714964 0.76 L3MBTL1 (0.41) L3MBTL1NCF1CARM1PRMT6ROCK2
SCHEMBL13165399 0.76 SAT1 (0.39) L3MBTL1
SCHEMBL6019205 0.76 SAT1 (0.39) L3MBTL1
SCHEMBL273581 0.76
SCHEMBL19112952 0.76 JAK2 (0.33) NCF1
SCHEMBL19366618 0.74 JAK2 (0.31)
SCHEMBL12605183 0.74 L3MBTL1 (0.47) L3MBTL1CARM1PRMT6GNAI3GNAO1

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-2556066-B1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-10-19 EP disclosed