SCHEMBL536418

SCHEMBL536418

CNOC(=O)Cc1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PKM P14618 2/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.33
PLK1 P53350 1/20 0.33
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
NLRP3 Q96P20 1/20 0.31
NTRK1 P04629 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
SCHEMBL11714467 0.82 HSP90AB1 (0.44) P2RX7LMNAHTTL3MBTL1PKM
SCHEMBL7890254 0.74 CA12 (0.51) LMNAHTTPKMALDH1A1KDM4E
SCHEMBL1483489 0.74 HTT (0.42) P2RX7LMNAHTTPKMALDH1A1
SCHEMBL27503511 0.72 SLC6A2 (0.31)
SCHEMBL27521697 0.72 ALDH1A1 (0.42) LMNAHTTL3MBTL1PKMALDH1A1
SCHEMBL28701913 0.71 TSHR (0.56) LMNAL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10275972 0.71 MAPT (0.38) P2RX7LMNAHTTL3MBTL1ALDH1A1
SCHEMBL1719924 0.70 LMNA (0.47) P2RX7LMNAHTTL3MBTL1ALDH1A1
SCHEMBL7769482 0.70 P2RX7 (0.38) P2RX7LMNAHTTL3MBTL1ALDH1A1
SCHEMBL5094342 0.69 P2RX7 (0.41) P2RX7LMNAHTTL3MBTL1PKM

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
EP-2414351-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
WO-2010114162-A1 NOVEL SALT OF 1,3,5-TRIAZINE-2,4,6-TRIAMINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 WO disclosed