SCHEMBL9615083

SCHEMBL9615083

N#Cc1nc(N)c(N)nc1Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
MAPT P10636 5/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 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
SCHEMBL10997291 0.92 KDM4E (0.43) KDM4EMAPTMAOAMAOBALDH1A1
SCHEMBL11004372 0.82 KDM4E (0.47) KDM4EMAPTMAOAMAOBALDH1A1
SCHEMBL20261932 0.80 MAOA (0.50) KDM4EMAPTMAOAMAOBALDH1A1
SCHEMBL10338392 0.78 L3MBTL1 (0.48) KDM4EMAPTMAOAMAOBALDH1A1
SCHEMBL10195762 0.74 MAPT (0.56) KDM4EMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL11633686 0.74 KDM4E (0.44) KDM4EMAPTMAOAMAOBALDH1A1
SCHEMBL245593 0.73 ADORA1 (0.64) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL6375232 0.72 ALDH1A1 (0.49) KDM4EMAPTMAOAMAOBALDH1A1
SCHEMBL6376517 0.72 ALDH1A1 (0.50) KDM4EMAPTMAOAMAOBALDH1A1
SCHEMBL7973983 0.72 MAPT (0.50) KDM4EMAPTALDH1A1CYP1A2CYP2C9

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
JP-4112877-A None JP disclosed
JP-H04112877-A NEW CYANOPYRAZINE DERIVATIVE AND PRODUCTION THEREOF NIPPON SODA CO LTD 1992-04-14 JP disclosed