SCHEMBL17833172

SCHEMBL17833172

O=C(NNCCc1ccccc1)c1cccnc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.74
RAB9A P51151 3/20 0.74
MEN1 O00255 2/20 0.74
NPC1 O15118 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
EPHX2 P34913 2/20 0.67
HDAC3 O15379 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC2 Q92769 1/20 0.64
GAA P10253 4/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 1/20 0.58
TDP1 Q9NUW8 1/20 0.54
CYP2C9 P11712 2/20 0.53
CYP3A4 P08684 1/20 0.53
ALPL P05186 1/20 0.53
ALPI P09923 1/20 0.53
ALPG P10696 1/20 0.53
PLOD2 O00469 1/20 0.53
GPR52 Q9Y2T5 1/20 0.52

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
SCHEMBL2129716 0.85 RAB9A (1.00) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL30969954 0.85 RAB9A (1.00) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL9107032 0.85 HDAC3 (0.65) RAB9ANPC1HDAC3HDAC1HDAC2
SCHEMBL2995407 0.84 RAB9A (0.72) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL4182430 0.80 EPHX2 (1.00) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL5361922 0.80 GAA (0.77) KMT2AHDAC1GAALMNACYP2C9
SCHEMBL5553310 0.79 EPHX2 (0.92) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL17141706 0.78 HDAC1 (1.00) KMT2AMEN1HDAC3HDAC1HDAC2
SCHEMBL10886794 0.78 HDAC1 (0.70) KMT2AMEN1HDAC3HDAC1HDAC2
SCHEMBL17554047 0.78 KMT2A (0.74) KMT2ARAB9AMEN1NPC1SMN1; SMN2

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-2016094682-A2 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2016-06-16 WO disclosed