SCHEMBL28259128

SCHEMBL28259128

FC(F)(F)COc1ccnc(OCC(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL28020336 0.87 RXRA (0.46) NUDT1L3MBTL1MEN1KMT2ALMNA
SCHEMBL15677614 0.87 NUDT1 (0.41) NUDT1L3MBTL1MEN1KMT2ALMNA
SCHEMBL10203077 0.83 NUDT1 (0.38) NUDT1L3MBTL1MEN1KMT2ALMNA
SCHEMBL3966140 0.81 NUDT1 (0.43) NUDT1L3MBTL1MEN1KMT2ALMNA
SCHEMBL30329378 0.80 LMNA (0.39) L3MBTL1MEN1KMT2ALMNATSHR
SCHEMBL14897410 0.79 NUDT1 (0.46) NUDT1L3MBTL1MEN1KMT2ALMNA
SCHEMBL30679589 0.79 LMNA (0.38) NUDT1L3MBTL1MEN1KMT2ALMNA
SCHEMBL14879888 0.79 SCN9A (0.44) L3MBTL1MEN1KMT2ALMNATSHR
SCHEMBL29154 0.79 NUDT1 (0.69) NUDT1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL29625490 0.79 NUDT1 (0.69) NUDT1L3MBTL1MEN1KMT2ASMN1; SMN2

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
CN-108912056-A A kind of new benzoyl pyrimidine carbamide compounds and its preparation and application 海南大学 2018-11-30 — — CN disclosed
Send feedback