SCHEMBL12373451

SCHEMBL12373451

NCCCCCCNc1nc(Cl)nc(NCCCCCCN)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
CA12 O43570 5/20 0.51
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA9 Q16790 5/20 0.51
LMNA P02545 1/20 0.47
CA14 Q9ULX7 3/20 0.43
STK17A Q9UEE5 2/20 0.39
STK17B O94768 1/20 0.39
NPY1R P25929 1/20 0.39
NPY5R Q15761 1/20 0.39
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
KCNH3 Q9ULD8 1/20 0.37
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36

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) KMT2ACA12CA1CA2CA9
SCHEMBL1273822 0.89 CA12 (0.45) KMT2ACA12CA1CA2CA9
SCHEMBL17564538 0.88 CA12 (0.54) KMT2ACA12CA1CA2CA9
SCHEMBL1274316 0.87 CA12 (0.46) KMT2ACA12CA1CA2CA9
SCHEMBL140123 0.85 KMT2A (0.61) KMT2ACA12CA1CA2CA9
SCHEMBL17564594 0.84 KMT2A (0.71) KMT2ACA12CA1CA2CA9
SCHEMBL20053796 0.83 KMT2A (0.58) KMT2ACA12CA1CA2CA9
SCHEMBL4163258 0.82 TLR8 (0.46) KMT2ACA12CA1CA2CA9
SCHEMBL1273829 0.80 CA12 (0.51) KMT2ACA12CA1CA2CA9
SCHEMBL12373455 0.80 KMT2A (0.57) KMT2AKCNH3

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