SCHEMBL7477066

SCHEMBL7477066

Cn1nc(-c2c(Cl)cccc2Cl)nc1-c1ccc(Br)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
RXFP1 Q9HBX9 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
PPARG P37231 2/20 0.39
NCOA2 Q15596 2/20 0.39
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.37
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
ALOX12 P18054 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CASP3 P42574 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
SCHEMBL7474295 0.78 TSHR (0.44) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL7477967 0.77 NR1H2 (0.36) RAB9ANPC1NR1H2NR1H3CRHR1
SCHEMBL7471708 0.74 NR1H2 (0.38) MAPTRAB9ASMN1; SMN2NPC1NR1H2
SCHEMBL6976971 0.72 GAA (0.35) MAPTKMT2ALMNAPOLBSMN1; SMN2
SCHEMBL7476369 0.71 NR1H2 (0.43) MAPTKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL7526323 0.70 PDE2A (0.34) KDM4ERXFP1KMT2ALMNARAB9A
SCHEMBL5726642 0.69 PDE2A (0.33) MAPTKDM4ERXFP1KMT2ALMNA
SCHEMBL6073454 0.69 PDE2A (0.33) KDM4ERXFP1KMT2ALMNARAB9A
SCHEMBL5727053 0.69 PDE2A (0.33) KDM4ERXFP1KMT2ALMNARAB9A
SCHEMBL5726652 0.69 PKM (0.34) MAPTRXFP1RAB9ANPC1NR1H2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922043-B1 PESTICIDAL 3-(SUBSTITUTED PHENYL)-5-(THIENYL OR FURYL)-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2002-01-30 EP disclosed
US-6262305-B1 Process and intermediates for preparing 3-(substituted phenyl)-5-(thienyl or furyl)-1,2,4-triazole compounds DOW AGROSCIENCES LLC 2001-07-17 US disclosed
US-6015826-A INSECTICIDES, APHIDICIDES, AND MITICIDES DOW AGROSCIENCES LLC 2000-01-18 US disclosed