SCHEMBL9768607

SCHEMBL9768607

CC/C(=N/NC(=O)O)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
GAA P10253 3/20 0.52
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
PLOD2 O00469 1/20 0.47
PLOD3 O60568 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
PLOD1 Q02809 1/20 0.47
HIF1A Q16665 1/20 0.47
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL9768608 1.00 TP53 (0.53) TP53GAAALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL10806420 0.98 GAA (0.51) TP53GAAALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL10806426 0.98 GAA (0.51) TP53GAAALDH1A1MAPTKDM4E
SCHEMBL9795947 0.87 SMN1; SMN2 (0.57) GAAALDH1A1MAPTKDM4ERAB9A
SCHEMBL9795943 0.87 SMN1; SMN2 (0.57) GAAALDH1A1MAPTKDM4ERAB9A
SCHEMBL720916 0.86 TP53 (0.68) TP53GAAALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL9795915 0.86 SMN1; SMN2 (0.56) GAAALDH1A1MAPTKDM4ERAB9A
Hydrochloric Acid SCHEMBL9795925 0.86 SMN1; SMN2 (0.56) GAAALDH1A1MAPTKDM4ERAB9A
SCHEMBL9769023 0.84 GAA (0.55) GAAALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL9769029 0.84 GAA (0.55) GAAALDH1A1MAPTSMN1; SMN2LMNA

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