SCHEMBL7621606

SCHEMBL7621606

CCc1nn(C)c(NC(=O)Cc2ccc(Oc3ccc(Cl)cc3)cc2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
EPHX2 P34913 2/20 0.44
LTA4H P09960 1/20 0.44
CSNK1D P48730 2/20 0.44
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RORC P51449 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
FFAR2 O15552 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
NR3C1 P04150 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
SCHEMBL7623076 0.89 MAPK1 (0.43) MAPK1NPC1RAB9AEPHX2LTA4H
SCHEMBL7623232 0.84 MEN1 (0.51) MAPK1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL7618791 0.79 MAPK1 (0.46) MAPK1NPC1RAB9AEPHX2LTA4H
SCHEMBL8329943 0.76 NOD2 (0.48) NPC1RAB9AEPHX2LTA4HCSNK1D
SCHEMBL8773916 0.73 NPY5R (0.44) MAPK1NPC1RAB9AEPHX2LTA4H
SCHEMBL7624995 0.72 SMN1; SMN2 (0.52) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4288466 0.72 SMN1; SMN2 (0.47) MAPK1NPC1RAB9AEPHX2LTA4H
SCHEMBL8987834 0.70 KMT2A (0.51) NPC1RAB9AEPHX2LTA4HCSNK1D
SCHEMBL27550688 0.68 NOD2 (0.49) NPC1RAB9AEPHX2LTA4HCSNK1D
Tolfenpyrad SCHEMBL26416 0.68 RAB9A (0.57) NPC1RAB9ATSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444612-B1 CONTROLLING PLANT DISEASES CAUSED BY FUNGUS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
CN-1315943-A Use of 5-amino-pyrazol-derivatives for combating micro-organisms BAYER AG (DE) 2001-10-03 CN disclosed
US-6100288-A EFFICIENCY; PESTICIDES, AGRICULTURE, STORAGE, HYGIENE BAYER AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed
US-5981566-A FOR CONTROLLING ANIMAL PESTS, IN PARTICULAR INSECTS, ARACHNIDS AND NEMATODES BAYER AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
US-5843978-A Acylated 5-aminopyrazoles and the use thereof to combat animal parasites BAYER AKTIENGESELLSCHAFT (DE) 1998-12-01 US disclosed
EP-0802907-A1 ACYLATED 5-AMINOPYRAZOLES AND THE USE THEREOF TO COMBAT ANIMAL PARASITES BAYER AG (DE) 1997-10-29 EP disclosed
WO-1996021653-A1 ACYLATED 5-AMINOPYRAZOLES AND THE USE THEREOF TO COMBAT ANIMAL PARASITES BAYER AKTIENGESELLSCHAFT (DE) 1996-07-18 WO disclosed