SCHEMBL6919803

SCHEMBL6919803

COc1ccc(N(c2nc(N)nc(N(C)C3CCN(C)CC3)n2)C2CCCCCC2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 5/20 0.45
EHMT1 Q9H9B1 5/20 0.45
HRH4 Q9H3N8 2/20 0.41
SLC2A1 P11166 1/20 0.40
SPIN1 Q9Y657 1/20 0.39
KMT5A Q9NQR1 2/20 0.36
NSD2 O96028 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.34
BCL6 P41182 1/20 0.34
PGR P06401 1/20 0.33
NMT1 P30419 1/20 0.33

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
SCHEMBL5033412 0.90 EHMT2 (0.38) EHMT2EHMT1HRH4SLC2A1SPIN1
SCHEMBL6237774 0.89 EHMT2 (0.45) EHMT2EHMT1HRH4SLC2A1SPIN1
SCHEMBL4874024 0.86 HRH4 (0.57) HRH4
SCHEMBL6609401 0.86 EHMT2 (0.41) EHMT2EHMT1HRH4SLC2A1SPIN1
SCHEMBL6016881 0.85 MAPK1 (0.36) EHMT2EHMT1HRH4SLC2A1SPIN1
SCHEMBL5556168 0.83 SMN1; SMN2 (0.41) HRH4SMN1; SMN2MAPK1RECQLBCL6
SCHEMBL5037951 0.80 EHMT2 (0.47) EHMT2EHMT1HRH4PGR
SCHEMBL6430010 0.80 EHMT2 (0.37) EHMT2EHMT1SPIN1NMT1
SCHEMBL4836469 0.80 HRH4 (0.45) HRH4SMN1; SMN2MAPK1
SCHEMBL5421592 0.79 EHMT2 (0.39) EHMT2EHMT1HRH4SLC2A1SPIN1

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 disclosed