SCHEMBL9768828

SCHEMBL9768828

O=C(O)NN=C(c1ccncc1)C1COCOC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
NAPRT Q6XQN6 1/20 0.36
NPC1 O15118 2/20 0.35
GAA P10253 6/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 4/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 7/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLOD2 O00469 1/20 0.34
PLOD3 O60568 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
PLOD1 Q02809 1/20 0.34
HIF1A Q16665 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL9768819 1.00 POLB (0.39) POLBNAPRTNPC1GAAKDM4E
SCHEMBL9768801 0.84 SMN1; SMN2 (0.46) NPC1GAAKDM4EMAPTCYP3A4
SCHEMBL9768811 0.84 SMN1; SMN2 (0.46) NPC1GAAKDM4EMAPTCYP3A4
SCHEMBL9768794 0.76 NPC1 (0.34) NAPRTNPC1KDM4ECYP3A4CYP2C19
SCHEMBL9768889 0.74 GAA (0.44) POLBNAPRTNPC1GAAKDM4E
SCHEMBL9768867 0.67 NPC1 (0.61) NPC1GAAKDM4EMAPTALDH1A1
SCHEMBL9768862 0.67 NPC1 (0.61) NPC1GAAKDM4EMAPTALDH1A1
SCHEMBL9768852 0.66 BCHE (0.67) POLBGAAMAPTCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL9769045 0.66 NPC1 (0.60) NPC1GAAKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL9769046 0.66 NPC1 (0.60) NPC1GAAKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023334-A Anthelmintic pyridinyl acylhydrazones THE UPJOHN COMPANY (US) 1991-06-11 US claimed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP claimed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO claimed
US-5023334-A Anthelmintic pyridinyl acylhydrazones THE UPJOHN COMPANY (US) 1991-06-11 US disclosed
US-5011932-A Anthelmintic pyridinyl acylhydrazones derivatives UPJOHN COMPANY (US) 1991-04-30 US disclosed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP disclosed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO disclosed