SCHEMBL9769029

SCHEMBL9769029

CCCCC(=NNC(=O)O)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NAAA Q02083 1/20 0.46
PLOD2 O00469 1/20 0.42
PLOD3 O60568 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLOD1 Q02809 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL9769023 1.00 GAA (0.55) GAASMN1; SMN2KMT2AMAPTL3MBTL1
SCHEMBL9795943 0.91 SMN1; SMN2 (0.57) GAASMN1; SMN2KMT2AMAPTL3MBTL1
SCHEMBL9795947 0.91 SMN1; SMN2 (0.57) GAASMN1; SMN2KMT2AMAPTL3MBTL1
Hydrochloric Acid SCHEMBL9795925 0.90 SMN1; SMN2 (0.56) GAASMN1; SMN2KMT2AMAPTL3MBTL1
Hydrochloric Acid SCHEMBL9795915 0.90 SMN1; SMN2 (0.56) GAASMN1; SMN2KMT2AMAPTL3MBTL1
SCHEMBL9768608 0.84 TP53 (0.53) GAASMN1; SMN2KMT2AMAPTL3MBTL1
SCHEMBL9768607 0.84 TP53 (0.53) GAASMN1; SMN2KMT2AMAPTL3MBTL1
Hydrochloric Acid SCHEMBL10806426 0.83 GAA (0.51) GAASMN1; SMN2KMT2AMAPTL3MBTL1
Hydrochloric Acid SCHEMBL10806420 0.83 GAA (0.51) GAASMN1; SMN2KMT2AMAPTL3MBTL1
SCHEMBL2642955 0.80 SMN1; SMN2 (0.50) GAASMN1; SMN2KMT2AMAPTL3MBTL1

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