SCHEMBL11023129

SCHEMBL11023129

N=C(N)c1ncccc1[C]=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
PLAU P00749 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
RECQL P46063 1/20 0.33
PARP1 P09874 2/20 0.33
CYP1A2 P05177 1/20 0.33
GRM5 P41594 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL3538383 0.83 KDM4E (0.41) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL5791591 0.77 KDM4E (0.57) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL5610319 0.76 ALDH1A1 (0.42) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL7194177 0.75 KDM4E (0.38) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL3963715 0.75 P2RX7 (0.48) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL5394033 0.74
SCHEMBL2459394 0.74 KDM4E (0.47) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL6454171 0.72 GRM4 (0.41) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL2928334 0.72 EGLN2 (0.43) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL6808280 0.72 NPC1 (0.40) KDM4EMAPTALDH1A1ALOX15TSHR

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-60152477-A None JP disclosed
JP-S60152477-A NOVEL THIAZOLE DERIVATIVE AND PREPARATION THEREOF KYORIN PHARMACEUT CO LTD 1985-08-10 JP disclosed