SCHEMBL7770965

SCHEMBL7770965

[NH]C(=O)Cc1cccc(CN)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.50
GLS O94925 3/20 0.49
LOXL2 Q9Y4K0 3/20 0.48
PNMT P11086 1/20 0.45
NOS1 P29475 5/20 0.44
NOS2 P35228 5/20 0.44
NOS3 P29474 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
CFD P00746 1/20 0.43
PRMT6 Q96LA8 1/20 0.42
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40

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
SCHEMBL28307894 0.83 ENPP2 (0.54) ENPP2GLSLOXL2PNMTNOS1
SCHEMBL7769861 0.83 ABAT (0.48) LOXL2SMN1; SMN2
SCHEMBL7770968 0.82 ENPP2 (0.52) ENPP2GLSLOXL2PNMTNOS1
SCHEMBL3803115 0.82 AKR1B1 (0.58) ENPP2GLSLOXL2PNMTNOS1
Bicarbonate SCHEMBL31055574 0.81 LOXL2 (0.62) ENPP2LOXL2PNMTNOS1NOS2
SCHEMBL27550263 0.80 PNMT (0.50) ENPP2GLSLOXL2PNMTNOS1
SCHEMBL7770954 0.80 BCL2 (0.46) ALDH1A1SMN1; SMN2CYP1A2TSHRCYP2C19
SCHEMBL8105331 0.80 NOS1 (0.53) ENPP2GLSLOXL2PNMTNOS1
Hydrochloric Acid SCHEMBL3761585 0.80 AKR1B1 (0.56) ENPP2GLSLOXL2PNMTNOS1
SCHEMBL29809842 0.79 PNMT (0.58) ENPP2LOXL2PNMTNOS1NOS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed