SCHEMBL11639629

SCHEMBL11639629

Clc1nc(Cl)nc(Nc2c(Br)cc(Br)cc2Br)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.47
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 1/20 0.42
TXN P10599 1/20 0.41
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
APP P05067 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
SCHEMBL11652163 0.96 MAPT (0.47) NFKB1MAPTMEN1MAPK1KMT2A
SCHEMBL11632846 0.85 NQO2 (0.38) MAPTMEN1MAPK1KMT2ATSHR
SCHEMBL1181589 0.85 NFKB1 (0.53) NFKB1MAPTMEN1MAPK1KMT2A
Hydrochloric Acid SCHEMBL11750655 0.83 NQO2 (0.36) MAPTMEN1MAPK1KMT2ATSHR
SCHEMBL14940258 0.81 NFKB1 (0.45) NFKB1MAPTMEN1MAPK1KMT2A
SCHEMBL15266054 0.81 TXN (0.42) NFKB1MAPTMEN1MAPK1KMT2A
Ammonia Solution, Strong SCHEMBL10887770 0.75 TDP1 (0.43) MAPTMEN1MAPK1KMT2ATSHR
SCHEMBL11649921 0.74 TSHR (0.40) NFKB1MAPTMEN1MAPK1KMT2A
SCHEMBL8972835 0.73 NFKB1 (0.64) NFKB1MAPTMEN1MAPK1KMT2A
SCHEMBL1459498 0.72 TDP1 (0.45) MAPTMEN1MAPK1KMT2ATSHR

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