SCHEMBL3973166

SCHEMBL3973166

CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.CC(C)c1cccc(C(C)C)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 1/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SLC2A1 P11166 1/20 0.38
PKM P14618 1/20 0.37
USP2 O75604 1/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL3973168 1.00 NR4A1 (0.47) NR4A1MAOAMAOBKDM4EALDH1A1
SCHEMBL30931819 0.93 NR4A1 (0.54) NR4A1MAOAMAOBKDM4EALDH1A1
SCHEMBL32490152 0.93 NR4A1 (0.54) NR4A1MAOAMAOBKDM4EALDH1A1
SCHEMBL3682352 0.93 NR4A1 (0.54) NR4A1MAOAMAOBKDM4EALDH1A1
SCHEMBL3682351 0.93 NR4A1 (0.54) NR4A1MAOAMAOBKDM4EALDH1A1
SCHEMBL5589850 0.91 NR4A1 (0.53) NR4A1MAOAMAOBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5664626 0.91 NR4A1 (0.53) NR4A1MAOAMAOBKDM4EALDH1A1
Bromide SCHEMBL8057298 0.90 NR4A1 (0.51) NR4A1MAOAMAOBKDM4EALDH1A1
SCHEMBL18086818 0.84 NR4A1 (0.49) NR4A1MAOAMAOBKDM4EALDH1A1
SCHEMBL5588926 0.84 NR4A1 (0.49) NR4A1MAOAMAOBKDM4EALDH1A1

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-2009051956-A2 PYRAZOLE-SUBSTITUTED ISOXAZOLINE INSECTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-23 WO disclosed