SCHEMBL9729259

SCHEMBL9729259

COC(C)Cc1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
TAAR1 Q96RJ0 3/20 0.34
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL9729598 0.87 TAAR1 (0.49) SMN1; SMN2KDM4EALDH1A1L3MBTL1TAAR1
SCHEMBL170907 0.78 GABRA1 (0.43) SMN1; SMN2KDM4EALDH1A1L3MBTL1SLC6A2
SCHEMBL6203907 0.78 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL6203911 0.78 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL9466819 0.77 GABRA1 (0.39) SLC6A2SLC6A4SLC6A3KCNH2TAAR1
SCHEMBL23347559 0.74 LMNA (0.41) SMN1; SMN2KDM4EALDH1A1L3MBTL1GAA
SCHEMBL2422907 0.74 GAA (0.38) SMN1; SMN2KDM4EALDH1A1L3MBTL1SLC6A2
SCHEMBL14478256 0.74 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL18400702 0.74 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1L3MBTL1SLC6A2
SCHEMBL19262107 0.71 KDM4E (0.37) SMN1; SMN2KDM4EALDH1A1L3MBTL1KCNH2

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-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed