SCHEMBL28425920

SCHEMBL28425920

NNC(=O)c1cc(-c2cnccn2)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
P2RX7 Q99572 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL3418973 0.76 ALDH1A1 (0.51) MAPTHDAC1HDAC8HDAC6HDAC3
Pyrazine Carboxylic Acid Hydrazide SCHEMBL107341 0.72 ADORA3 (0.61) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL14119711 0.72 CYP1A2 (0.44) MAPTKMT2AMEN1POLBBLM
SCHEMBL13815661 0.72 HSP90AA1 (0.43) MAPTKMT2AMEN1SMN1; SMN2PIM1
SCHEMBL1343655 0.72 PIM1 (0.47) POLBPIM1PIM2CYP1A2NPSR1
Pyrazine Carboxylic Acid Hydrazide SCHEMBL18038330 0.71 ADORA3 (0.59) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL20507844 0.71 WNT3A (0.56) SMN1; SMN2
SCHEMBL2553430 0.69 HDAC6 (0.77) HDAC1HDAC8HDAC6HDAC2PIM1
SCHEMBL27873381 0.67 KDM4E (0.53) MAPTHDAC1HDAC3HDAC4HDAC2
SCHEMBL23950158 0.66 ALOX15 (0.51) MAPTHDAC1HDAC8HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107382977-B Pyrazinepyrazole acylhydrazone derivative-based fluorescent probe and preparation method and application thereof 河南理工大学 2020-07-28 CN claimed
CN-107382977-B Pyrazinepyrazole acylhydrazone derivative-based fluorescent probe and preparation method and application thereof 河南理工大学 2020-07-28 CN disclosed