SCHEMBL12373450

SCHEMBL12373450

NCCCCCCNc1nc(NCCO)nc(NCCCCCCN)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
KCNH3 Q9ULD8 6/20 0.47
SLC29A1 Q99808 4/20 0.46
RECQL P46063 1/20 0.44
MCL1 Q07820 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
CDK1 P06493 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NPY1R P25929 1/20 0.39
NPY5R Q15761 1/20 0.39
GBA1 P04062 1/20 0.38

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
SCHEMBL1272863 0.89 CA12 (0.45) KMT2AKCNH3CA12CA1CA2
SCHEMBL1273822 0.89 CA12 (0.45) KMT2AKCNH3CA12CA1CA2
SCHEMBL1274316 0.87 CA12 (0.46) KMT2AKCNH3RECQLMEN1CA12
SCHEMBL12373454 0.84 KMT2A (0.41) KMT2AKCNH3CA12CA1CA2
SCHEMBL4163258 0.82 TLR8 (0.46) KMT2AKCNH3CA12CA1CA2
SCHEMBL6641480 0.81 KCNH3 (0.65) KMT2AKCNH3SLC29A1RECQLMCL1
SCHEMBL6644498 0.81 KCNH3 (0.65) KMT2AKCNH3SLC29A1RECQLMCL1
SCHEMBL1273829 0.80 CA12 (0.51) KMT2AKCNH3RECQLMEN1CA12
SCHEMBL12373455 0.80 KMT2A (0.57) KMT2AKCNH3MEN1
SCHEMBL21449078 0.80 HTR7 (0.46) KMT2ACA12CA1CA2CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8007546-B2 Treating polyamide fibers before, during or after dyeing with a liquor comprising a derivative of diamino-1,3,5-triazine, triamino-1,3,5-triazine, diaminohalo-1,3-5-triazine, or diaminooxy-1,3,5-triazine; colorfastness HUNTSMAN INTERNATIONAL LLC (US) 2011-08-30 US disclosed
US-8007546-B2 Treating polyamide fibers before, during or after dyeing with a liquor comprising a derivative of diamino-1,3,5-triazine, triamino-1,3,5-triazine, diaminohalo-1,3-5-triazine, or diaminooxy-1,3,5-triazine; colorfastness HUNTSMAN INTERNATIONAL LLC (US) 2011-08-30 US disclosed
US-20080178395-A1 Method of Increasing Depth Shade HUNTSMAN INTERNATIONAL LLC. (TX) 2008-07-31 US disclosed
US-20080178395-A1 Method of Increasing Depth Shade HUNTSMAN INTERNATIONAL LLC. (TX) 2008-07-31 US disclosed