SCHEMBL28085183

SCHEMBL28085183

O=C(Nc1c(Br)cc(OC(F)(F)F)cc1Br)c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KCNK3 O14649 4/20 0.48
KCNK9 Q9NPC2 4/20 0.48
PTGS1 P23219 1/20 0.48
PTPRC P08575 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
RECQL P46063 1/20 0.44
F2R P25116 1/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
ABL1 P00519 1/20 0.43
SRC P12931 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL21620292 0.74 NPC1 (0.52) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2936256 0.74 SMN1; SMN2 (0.78) LMNAGAASMN1; SMN2KCNK3KCNK9
SCHEMBL16049296 0.73 ALDH1A1 (0.45) GAAMAPT
SCHEMBL21652228 0.73 TRPV1 (0.64) LMNASMN1; SMN2KCNK9MAPTTP53
SCHEMBL10800489 0.72 TDP1 (0.73) LMNAGAASMN1; SMN2
SCHEMBL21652233 0.72 HDAC8 (0.51) LMNAGAASMN1; SMN2KCNK3KCNK9
SCHEMBL3776667 0.71 KCNK3 (0.65) LMNAKCNK3KCNK9PTGS1PTPRC
SCHEMBL1499598 0.70 SMN1; SMN2 (0.68) SMN1; SMN2F2RMAPTABL1MEN1
SCHEMBL11204897 0.70 NPC1 (0.70) GAASMN1; SMN2KCNK3KCNK9PTGS1
SCHEMBL28070419 0.70 GAA (0.46) GAASMN1; SMN2MAPTTP53ABL1

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
CN-105837491-B A kind of novel carboxamide derivative fungicide and its preparation method and application 山东省联合农药工业有限公司 2018-11-06 CN disclosed
CN-105837491-A Novel carboxamide derivative bactericide, preparation method and application thereof 山东省联合农药工业有限公司 2016-08-10 CN disclosed