SCHEMBL12373454

SCHEMBL12373454

NCCCCCCNc1nc(O)nc(NCCCCCCN)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
KCNH3 Q9ULD8 4/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
NPY1R P25929 1/20 0.39
NPY5R Q15761 1/20 0.39
PIM1 P11309 1/20 0.36
TLR8 Q9NR97 1/20 0.36
PAOX Q6QHF9 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
F13A1 P00488 1/20 0.34
CYP1A2 P05177 1/20 0.34
CA3 P07451 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL1273822 0.89 CA12 (0.45) KMT2AKCNH3HSP90AA1HSP90AB1CA12
SCHEMBL1272863 0.89 CA12 (0.45) KMT2AKCNH3HSP90AA1HSP90AB1CA12
SCHEMBL1274316 0.87 CA12 (0.46) KMT2AKCNH3CA12CA1CA2
SCHEMBL12373450 0.84 KMT2A (0.57) KMT2AKCNH3CA12CA1CA2
SCHEMBL15813011 0.83 CXCR4 (0.35) KMT2AKCNH3CA12CA1CA2
SCHEMBL4163258 0.82 TLR8 (0.46) KMT2AKCNH3CA12CA1CA2
SCHEMBL1273829 0.80 CA12 (0.51) KMT2AKCNH3CA12CA1CA2
SCHEMBL12373455 0.80 KMT2A (0.57) KMT2AKCNH3TLR8TSHR
SCHEMBL21449078 0.80 HTR7 (0.46) KMT2ACA12CA1CA2CA9
SCHEMBL11794554 0.80 TLR8 (0.42) KMT2AKCNH3CA12CA1CA2

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