SCHEMBL5776472

SCHEMBL5776472

Cn1c(C(F)(F)F)ccc(-c2cc(N)ccc2F)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.50
TSHR P16473 4/20 0.38
GAA P10253 3/20 0.38
POLB P06746 2/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 7/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 6/20 0.34
ALDH1A1 P00352 5/20 0.34
BRPF1 P55201 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.33
IDH1 O75874 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ANPEP P15144 1/20 0.33

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
SCHEMBL5773816 0.80 BRD4 (0.39) BRD4GAARAB9ASMN1; SMN2NPC1
SCHEMBL5775116 0.78 HSD11B1 (0.47) GAARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5771668 0.78 RAB9A (0.38) TSHRGAARAB9ASMN1; SMN2NPC1
SCHEMBL5775093 0.75 HSD11B1 (0.36) GAARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5776527 0.75 HSD11B1 (0.39) GAARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5775958 0.74 IDH1 (0.34) BRD4GAARAB9ASMN1; SMN2NPC1
SCHEMBL5773760 0.73 KDM4E (0.38) GAAPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL5773445 0.71 HSD11B1 (0.34) GAARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5775231 0.71 RAB9A (0.37) GAAPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL17494888 0.71 RAB9A (0.44) GAARAB9ASMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885885-B1 PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-01-04 EP disclosed
US-6472348-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-10-29 US disclosed
US-6265349-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2001-07-24 US disclosed
US-6048823-A Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-11 US disclosed
EP-0885885-A1 PYRIDONE DERIVATIVES AND HERBICIDES KumaiI Chemical Industry Co., Ltd. (JP) 1998-12-23 EP disclosed