SCHEMBL9668352

SCHEMBL9668352

CC(=O)n1cc(C=NN)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
GAA P10253 1/20 0.66
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
RAB9A P51151 2/20 0.58
POLB P06746 5/20 0.57
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
PTGS2 P35354 3/20 0.48
HTT P42858 2/20 0.46
CREBBP Q92793 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL870631 0.81 KMT2A (0.59) SMN1; SMN2GAAKMT2AMEN1RAB9A
SCHEMBL6545595 0.80 KMT2A (0.62) SMN1; SMN2GAAKMT2AMEN1RAB9A
SCHEMBL13967296 0.78 HTT (0.50) SMN1; SMN2GAAKMT2AMEN1RAB9A
SCHEMBL9669729 0.77 GAA (0.70) SMN1; SMN2GAAKMT2AMEN1RAB9A
SCHEMBL2561496 0.76 KMT2A (0.54) SMN1; SMN2GAAKMT2AMEN1RAB9A
SCHEMBL2561497 0.76 KMT2A (0.54) SMN1; SMN2GAAKMT2AMEN1RAB9A
SCHEMBL5339837 0.76 ALDH1A1 (0.61) SMN1; SMN2GAAKMT2AMEN1RAB9A
SCHEMBL24629305 0.75 KMT2A (0.72) SMN1; SMN2GAAKMT2AMEN1RAB9A
SCHEMBL27136868 0.75 KMT2A (0.72) SMN1; SMN2GAAKMT2AMEN1RAB9A
SCHEMBL3866851 0.75 ALDH1A1 (0.73) SMN1; SMN2GAAKMT2AMEN1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299973-B1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1992-06-17 EP claimed
EP-0299973-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1989-01-25 EP claimed
WO-1987006133-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-10-22 WO claimed