SCHEMBL11638656

SCHEMBL11638656

Clc1cc(Cl)c(Nc2nc(Cl)nc(Cl)n2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
NFKB1 P19838 4/20 0.45
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
APP P05067 2/20 0.39
TXN P10599 1/20 0.39
CRHR1 P34998 3/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL11642718 0.89 RAPGEF4 (0.42) TSHRMAPTMEN1MAPK1KMT2A
SCHEMBL1182939 0.78 TSHR (0.62) TSHRNFKB1MAPTMEN1MAPK1
SCHEMBL23643491 0.76 NFKB1 (0.57) TSHRNFKB1MAPTMEN1MAPK1
SCHEMBL1686537 0.75 RAPGEF4 (0.56) TSHRMAPTMEN1MAPK1KMT2A
SCHEMBL8973245 0.74 TSHR (0.61) TSHRNFKB1MAPTMEN1MAPK1
SCHEMBL11649921 0.74 TSHR (0.40) TSHRNFKB1MAPTMEN1MAPK1
SCHEMBL10642203 0.72 TSHR (0.57) TSHRNFKB1MAPTMEN1MAPK1
SCHEMBL14940191 0.71 RAPGEF4 (0.54) NFKB1CRHR1RAPGEF4
SCHEMBL11639629 0.71 NFKB1 (0.47) TSHRNFKB1MAPTMEN1MAPK1
SCHEMBL8973726 0.70 NFKB1 (0.55) TSHRNFKB1MAPTMEN1MAPK1

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-4104250-A Flame-retardant polymers with 1,3,5-triazines having halo- and halo-aryl substitutents BORG-WARNER CORPORATION (US) 1978-08-01 US disclosed
US-4096206-A Flame-retardant triazines BORG-WARNER CORPORATION (US) 1978-06-20 US disclosed