SCHEMBL8567940

SCHEMBL8567940

O=Cc1ccc(OCF)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
KDM4E B2RXH2 4/20 0.53
POLB P06746 2/20 0.48
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
DRD3 P35462 1/20 0.45
KCNJ1 P48048 1/20 0.38
MAPT P10636 3/20 0.37
APP P05067 2/20 0.37
SNCA P37840 1/20 0.37
FDPS P14324 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
CASP6 P55212 1/20 0.34
CYP2A6 P11509 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 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
SCHEMBL29416984 0.85 ALDH1A1 (0.54) ALDH1A1L3MBTL1KDM4EPOLBDRD2
SCHEMBL20489824 0.85 ALDH1A1 (0.54) ALDH1A1L3MBTL1KDM4EPOLBDRD2
SCHEMBL18810213 0.83 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EPOLBDRD2
SCHEMBL933951 0.80 KDM4E (0.57) ALDH1A1L3MBTL1KDM4EPOLBKCNJ1
SCHEMBL28638782 0.80 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EPOLBKCNJ1
SCHEMBL1267742 0.79 L3MBTL1 (0.57) ALDH1A1L3MBTL1KDM4EPOLBMAPT
SCHEMBL29417154 0.79 L3MBTL1 (0.57) ALDH1A1L3MBTL1KDM4EPOLBMAPT
SCHEMBL20489914 0.79 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EPOLBDRD2
SCHEMBL29417077 0.79 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EPOLBDRD2
SCHEMBL28414002 0.79 APP (0.60) ALDH1A1L3MBTL1KDM4EPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed