SCHEMBL5771668

SCHEMBL5771668

Cn1c(C(F)(F)F)ccc(-c2ccc(F)cc2F)c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
MAPK14 Q16539 7/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.35
TDP2 O95551 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSD11B1 P28845 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL5775116 0.85 HSD11B1 (0.47) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL8188251 0.79 MAPK14 (0.43) MAPK14ALDH1A1TSHRHSD17B10ABCC8
SCHEMBL5775093 0.79 HSD11B1 (0.36) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL5776527 0.79 HSD11B1 (0.39) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL5776472 0.78 BRD4 (0.50) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL5773816 0.77 BRD4 (0.39) RAB9ASMN1; SMN2GAAPDE3BPDE3A
SCHEMBL5773760 0.76 KDM4E (0.38) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL5775231 0.74 RAB9A (0.37) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL5775958 0.74 IDH1 (0.34) RAB9ASMN1; SMN2GAANPC1ALDH1A1
SCHEMBL5773445 0.74 HSD11B1 (0.34) RAB9ASMN1; SMN2GAANPC1LMNA

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