SCHEMBL9768804

SCHEMBL9768804

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
PLOD2 O00469 1/20 0.36
PLOD3 O60568 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
PLOD1 Q02809 1/20 0.36
HIF1A Q16665 1/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL9768810 1.00 NAPRT (0.38) NAPRTGAAMAPTLMNAGPBAR1
SCHEMBL9795901 0.89 KMT2A (0.37) NAPRTGAAMAPTLMNACYP1A2
SCHEMBL9795909 0.89 KMT2A (0.37) NAPRTGAAMAPTLMNACYP1A2
SCHEMBL9768827 0.86 HDAC3 (0.39) NAPRTGAAMAPTLMNACYP1A2
SCHEMBL9768830 0.86 HDAC3 (0.39) NAPRTGAAMAPTLMNACYP1A2
SCHEMBL9796216 0.85 GPBAR1 (0.36) NAPRTGAAMAPTLMNAGPBAR1
SCHEMBL9796211 0.85 GPBAR1 (0.36) NAPRTGAAMAPTLMNAGPBAR1
SCHEMBL9796173 0.83 HTT (0.45) GAAMAPTLMNACYP1A2CYP3A4
SCHEMBL9796175 0.83 HTT (0.45) GAAMAPTLMNACYP1A2CYP3A4
SCHEMBL9796361 0.80 GAA (0.49) NAPRTGAAMAPTCYP3A4ALDH1A1

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