SCHEMBL9769014

SCHEMBL9769014

O=C(O)NN=Cc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
ROCK2 O75116 1/20 0.59
GRK2 P25098 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MAPT P10636 2/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
ATM Q13315 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GAA P10253 2/20 0.57

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
SCHEMBL9769012 1.00 KMT2A (0.63) KMT2AMEN1L3MBTL1CYP1A2CYP2C19
Water SCHEMBL9768838 0.98 KMT2A (0.61) KMT2AMEN1L3MBTL1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL9768940 0.98 KMT2A (0.61) KMT2AMEN1L3MBTL1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL9768938 0.98 KMT2A (0.61) KMT2AMEN1L3MBTL1CYP1A2CYP2C19
Water SCHEMBL9768836 0.98 KMT2A (0.61) KMT2AMEN1L3MBTL1CYP1A2CYP2C19
SCHEMBL10624649 0.83 MEN1 (0.61) KMT2AMEN1L3MBTL1CYP1A2CYP2C19
SCHEMBL10624644 0.83 MEN1 (0.61) KMT2AMEN1L3MBTL1CYP1A2CYP2C19
SCHEMBL10811923 0.83 CYP1A2 (0.62) KMT2AMEN1L3MBTL1CYP1A2CYP2C19
SCHEMBL4115183 0.82 MEN1 (0.77) KMT2AMEN1CYP1A2CYP2C19CYP3A4
SCHEMBL4115180 0.82 MEN1 (0.77) KMT2AMEN1CYP1A2CYP2C19CYP3A4

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