SCHEMBL8840237

SCHEMBL8840237

O=C(O)c1nnc(-c2c(F)cccc2F)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
ALB P02768 1/20 0.42
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
PIM1 P11309 2/20 0.38
PIM3 Q86V86 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
NOTUM Q6P988 1/20 0.37
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL8840310 0.83 KDM4E (0.54) NPC1RAB9ARXFP1KDM4ESMN1; SMN2
SCHEMBL22617536 0.78 KDM4E (0.42) ALBNPC1RAB9ARXFP1KDM4E
SCHEMBL22617533 0.76 KDM4E (0.58) NPC1RAB9APIM1KDM4ESMN1; SMN2
SCHEMBL8840161 0.74 NPC1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2CA1
SCHEMBL8840334 0.74 CSNK2A2 (0.56) NPC1RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL8840148 0.72 TTR (0.47) TTRALBNPC1RAB9APIM1
SCHEMBL31341319 0.71 HDAC6 (0.45) TTRALBNPC1RAB9APIM1
SCHEMBL19814620 0.71 TTR (0.46) TTRALBPIM1KDM4ECA1
SCHEMBL8043690 0.71 KDM4E (0.39) NPC1RAB9APIM1PIM3RXFP1
SCHEMBL12571310 0.71 TERT (0.43) NPC1RAB9AKDM4ESMN1; SMN2CES1

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
US-5591695-A Herbicidal [1,3,4]oxadiazoles and thiadiazoles AMERICAN CYANAMID CO. (US) 1997-01-07 US disclosed
EP-0726263-A2 Herbicidal (1,3,4)oxadiazoles and thiadiazoles American Cyanamid Company (US) 1996-08-14 EP disclosed