SCHEMBL9769041

SCHEMBL9769041

CCN(N=Cc1ccncc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 1/20 0.50
MAPT P10636 3/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
GAA P10253 2/20 0.40
ROCK2 O75116 1/20 0.40
GRK2 P25098 1/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL9769035 1.00 G6PC1 (0.50) G6PC1MAPTCYP1A2CYP2C19RAB9A
SCHEMBL720915 0.85 G6PC1 (0.49) G6PC1MAPTRAB9ANPC1GAA
SCHEMBL720917 0.85 G6PC1 (0.49) G6PC1MAPTRAB9ANPC1GAA
SCHEMBL10806104 0.81 G6PC1 (0.68) G6PC1MAPTCYP1A2CYP2C19GAA
SCHEMBL10806106 0.81 G6PC1 (0.68) G6PC1MAPTCYP1A2CYP2C19GAA
Water SCHEMBL9796172 0.77 G6PC1 (0.49) G6PC1MAPTCYP1A2CYP2C19RAB9A
Water SCHEMBL9796169 0.77 G6PC1 (0.49) G6PC1MAPTCYP1A2CYP2C19RAB9A
SCHEMBL3490011 0.74 G6PC1 (0.46) G6PC1MAPTCYP1A2CYP2C19RAB9A
SCHEMBL3490013 0.74 G6PC1 (0.46) G6PC1MAPTCYP1A2CYP2C19RAB9A
SCHEMBL9769017 0.74 G6PC1 (0.56) G6PC1CYP1A2CYP2C19RAB9ANPC1

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