SCHEMBL7511236

SCHEMBL7511236

C[N+](C)(C)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.61
NPC1 O15118 2/20 0.57
MAPT P10636 3/20 0.54
TXN P10599 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 1/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.50
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
NR1I2 O75469 1/20 0.47

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
SCHEMBL14206631 0.90 NPC1 (0.72) NFKB1NPC1MAPTTXNSMN1; SMN2
SCHEMBL11837292 0.84 NFKB1 (0.78) NFKB1NPC1MAPTTXNSMN1; SMN2
SCHEMBL4649919 0.82 NPC1 (0.43) NFKB1NPC1MAPTTXNSMN1; SMN2
SCHEMBL6536659 0.79 NPC1 (0.72) NFKB1NPC1MAPTTXNSMN1; SMN2
SCHEMBL3500246 0.78 NFKB1 (0.69) NFKB1NPC1MAPTTXNSMN1; SMN2
SCHEMBL8973767 0.76 NFKB1 (1.00) NFKB1NPC1MAPTTXNSMN1; SMN2
SCHEMBL23643402 0.75 NFKB1 (0.92) NFKB1NPC1MAPTTXNSMN1; SMN2
SCHEMBL1658574 0.75 TXN (0.89) NFKB1NPC1MAPTTXNSMN1; SMN2
SCHEMBL21645541 0.75 TXN (0.89) NFKB1NPC1MAPTTXNSMN1; SMN2
SCHEMBL8972835 0.75 NFKB1 (0.64) NFKB1NPC1MAPTTXNSMN1; SMN2

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-20020037410-A1 Using a 4, 6-dichloro-1,3,5-triazine-2-yl amine compounds; permanent flameproofing; washfastness DEGUSSA AG (DE) 2002-03-28 US claimed
US-20020037410-A1 Using a 4, 6-dichloro-1,3,5-triazine-2-yl amine compounds; permanent flameproofing; washfastness DEGUSSA AG (DE) 2002-03-28 US disclosed