SCHEMBL11015263

SCHEMBL11015263

CCCCc1ccnc(NN)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.43
NR3C2 P08235 9/20 0.42
SKP2 Q13309 1/20 0.42
TLR8 Q9NR97 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BDKRB2 P30411 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
SCHEMBL10238962 0.89 NR3C2 (0.44) NR3C2TLR8KDM4ENOS3NOS1
SCHEMBL31119421 0.82 NOS3 (0.57) NR3C2KDM4ENOS3NOS1NOS2
SCHEMBL2566737 0.82 NOS3 (0.57) NR3C2KDM4ENOS3NOS1NOS2
SCHEMBL29078768 0.80 NR3C2 (0.50) MMENR3C2KDM4E
SCHEMBL5746344 0.79 MME (0.41) MMENR3C2SKP2TLR8KDM4E
SCHEMBL18469854 0.78 KDM4E (0.46) MMENR3C2KDM4EHPGDMAPK1
SCHEMBL5746928 0.78 NR3C2 (0.43) MMENR3C2NPC1HPGDMAPK1
SCHEMBL22239778 0.78 MME (0.47) MMENR3C2NPC1RAB9A
SCHEMBL6938337 0.77 NOS2 (0.66) SKP2TLR8KDM4ENOS3NOS1
SCHEMBL2993441 0.76 SKP2 (0.44) SKP2TLR8KDM4ENOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0139917-A1 Pharmaceutical preparations, acylated hydrazine derivatives, methods for their preparation CIBA-GEIGY AG (CH) 1985-05-08 EP disclosed