SCHEMBL14220137

SCHEMBL14220137

O=C(Nc1c(Br)cc(I)cc1SC(F)(F)F)c1cccc(NC(=O)c2ccccc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RXFP1 Q9HBX9 8/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
MAPT P10636 1/20 0.43
F2R P25116 2/20 0.42
KCNK3 O14649 2/20 0.42
KCNK9 Q9NPC2 2/20 0.42
BCHE P06276 1/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL4192114 0.87 MEN1 (0.50) MEN1KMT2ASMN1; SMN2RXFP1NPC1
SCHEMBL4185237 0.86 MEN1 (0.49) MEN1KMT2ASMN1; SMN2RXFP1NPC1
SCHEMBL13890529 0.85 MEN1 (0.48) MEN1KMT2ASMN1; SMN2RXFP1NPC1
SCHEMBL4182573 0.85 MEN1 (0.48) MEN1KMT2ASMN1; SMN2RXFP1NPC1
SCHEMBL13875614 0.78 KMT2A (0.51) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL4187134 0.77 KCNK3 (0.49) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL1766542 0.76 MEN1 (0.55) MEN1KMT2ASMN1; SMN2RXFP1NPC1
SCHEMBL13875641 0.76 MEN1 (0.55) MEN1KMT2ASMN1; SMN2RXFP1NPC1
SCHEMBL13875639 0.75 MEN1 (0.54) MEN1KMT2ASMN1; SMN2RXFP1NPC1
SCHEMBL1767299 0.74 MEN1 (0.53) MEN1KMT2ASMN1; SMN2RXFP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1916236-A1 AMIDE DERIVATIVE, PESTICIDE CONTAINING SUCH COMPOUND AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2008-04-30 EP disclosed