SCHEMBL16660727

SCHEMBL16660727

Cc1c(C(=O)N(C)c2ccnnc2)cnn1C1CCCC1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SPR P35270 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL16660724 0.88 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660723 0.85 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660728 0.84 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL15662045 0.80 KMT2A (0.36) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660726 0.79 TRPV4 (0.40) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660725 0.79 KMT2A (0.35) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660742 0.74 OXTR (0.40) KMT2AHTT
SCHEMBL16973433 0.74 KMT2A (0.40) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16973453 0.73 KMT2A (0.41) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660732 0.73 OXTR (0.38) KMT2AMEN1TSHRHTTHSD17B10

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