SCHEMBL12373455

SCHEMBL12373455

CCCCCCNc1nc(NCCCCCCN)nc(NCCCCCCN)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
KCNH3 Q9ULD8 2/20 0.53
DNM1 Q05193 8/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
EPHX1 P07099 1/20 0.52
TLR8 Q9NR97 1/20 0.49
DNM2 P50570 4/20 0.49

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
SCHEMBL12373453 0.94 TLR8 (0.51) KMT2AKCNH3DNM1MEN1TLR8
SCHEMBL11796047 0.91 KMT2A (0.50) KMT2AKCNH3DNM1MEN1ALDH1A1
SCHEMBL12712379 0.91 KMT2A (0.53) KMT2AKCNH3DNM1TLR8DNM2
SCHEMBL1272863 0.89 CA12 (0.45) KMT2AKCNH3DNM1TSHRTLR8
SCHEMBL3299537 0.89 KMT2A (0.67) KMT2AKCNH3EPHX1DNM2
SCHEMBL3298621 0.89 KMT2A (0.67) KMT2AKCNH3EPHX1DNM2
SCHEMBL14441528 0.89 KMT2A (0.67) KMT2AKCNH3EPHX1DNM2
SCHEMBL14441519 0.89 KMT2A (0.67) KMT2AKCNH3EPHX1DNM2
SCHEMBL1273822 0.89 CA12 (0.45) KMT2AKCNH3DNM1TSHRTLR8
SCHEMBL403583 0.89 KMT2A (0.67) KMT2AKCNH3EPHX1DNM2

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 2 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-20080178395-A1 Method of Increasing Depth Shade HUNTSMAN INTERNATIONAL LLC. (TX) 2008-07-31 US disclosed