SCHEMBL16660728

SCHEMBL16660728

Cc1c(C(=O)N(C)c2ccnnc2)cnn1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 2/20 0.34
KCNJ6 P48051 2/20 0.34
KCNJ5 P48544 2/20 0.34
KCNJ3 P48549 2/20 0.34
SPR P35270 1/20 0.33
PDE7A Q13946 1/20 0.33
MGLL Q99685 1/20 0.33
FPR1 P21462 1/20 0.32
NR3C1 P04150 1/20 0.32
GRM1 Q13255 1/20 0.32
PDE9A O76083 1/20 0.31
PDE1B Q01064 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
SCHEMBL16660723 0.99 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL15662045 0.89 KMT2A (0.36) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660726 0.87 TRPV4 (0.40) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660725 0.87 KMT2A (0.35) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660731 0.86 OXTR (0.40) KMT2ATRPV4LMNASMN1; SMN2PKM
SCHEMBL16660727 0.84 KMT2A (0.36) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660724 0.84 KMT2A (0.38) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16660742 0.82 OXTR (0.40) KMT2ATRPV4PKMKCNJ6KCNJ5
SCHEMBL16660711 0.77 TRPV4 (0.46) NPC1RAB9ATRPV4SMN1; SMN2PDE7A
SCHEMBL16660729 0.76 OXTR (0.39)

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