SCHEMBL16660725

SCHEMBL16660725

COC1CCC(n2ncc(C(=O)N(C)c3ccnnc3)c2C)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NTRK1 P04629 1/20 0.33
PIK3CA P42336 2/20 0.31
MTOR P42345 1/20 0.31
FPR1 P21462 1/20 0.31
IDH1 O75874 1/20 0.30
SPR P35270 1/20 0.30
TYK2 P29597 2/20 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
SCHEMBL16660723 0.88 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660728 0.87 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL15662045 0.85 KMT2A (0.36) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660726 0.83 TRPV4 (0.40) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660727 0.79 KMT2A (0.36) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660722 0.79 IKBKE (0.39) NPC1RAB9A
SCHEMBL16660724 0.78 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660729 0.75 OXTR (0.39)
SCHEMBL16660742 0.74 OXTR (0.40) KMT2A
SCHEMBL16660731 0.74 OXTR (0.40) KMT2A

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-2015055497-A1 SUBSTITUTED PESTICIDAL PYRAZOLE COMPOUNDS BASF SE (DE) 2015-04-23 WO disclosed