SCHEMBL6921934

SCHEMBL6921934

COc1ccc(N(c2nc(N)nc(N(C)C3CCN(C)CC3)n2)C2C=CCCCC2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 5/20 0.38
EHMT1 Q9H9B1 5/20 0.38
SLC2A1 P11166 1/20 0.35
PIK3CA P42336 2/20 0.33
NSD2 O96028 1/20 0.33
SPIN1 Q9Y657 1/20 0.32
NMT1 P30419 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
KMT5A Q9NQR1 2/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30

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
SCHEMBL6237774 0.87 EHMT2 (0.45) EHMT2EHMT1SLC2A1PIK3CANSD2
SCHEMBL5421592 0.86 EHMT2 (0.39) EHMT2EHMT1SLC2A1PIK3CANSD2
Citric Acid SCHEMBL6865211 0.77 EHMT2 (0.37) EHMT2EHMT1SLC2A1PIK3CASPIN1
SCHEMBL6919803 0.77 EHMT2 (0.45) EHMT2EHMT1SLC2A1NSD2SPIN1
SCHEMBL6863012 0.76 SLC6A2 (0.34) EHMT2EHMT1SLC2A1PIK3CASPIN1
SCHEMBL6430010 0.75 EHMT2 (0.37) EHMT2EHMT1SPIN1NMT1
SCHEMBL5032272 0.75 SMN1; SMN2 (0.48) EHMT2EHMT1HRH4
SCHEMBL6233712 0.75 ALDH1A1 (0.39) EHMT2EHMT1JAK2HRH4
SCHEMBL6234157 0.73 NMT1 (0.37) EHMT2EHMT1NMT1JAK2BTK
SCHEMBL6818739 0.73 SMN1; SMN2 (0.46) EHMT2EHMT1HRH4

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
WO-2004026844-A9 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS INC (US) 2004-11-11 WO claimed