SCHEMBL11580258

SCHEMBL11580258

N=C(N)N(C(N)=O)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.36
KCNN4 O15554 6/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
PARP10 Q53GL7 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
KCNE1 P15382 1/20 0.32
KCNQ1 P51787 1/20 0.32
PARP1 P09874 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
SCHEMBL3066536 0.86 MAPT (0.36) L3MBTL1GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL28766985 0.79 ALDH1A1 (0.36) CES2CES1L3MBTL1KCNN4ALDH1A1
SCHEMBL11579184 0.78 ESR1 (0.33) L3MBTL1GAAPARP10MAPTPARP1
SCHEMBL7184269 0.78 KMT2A (0.38) CES2CES1ALDH1A1SMN1; SMN2HTT
SCHEMBL11092653 0.77 LMNA (0.38) L3MBTL1GAAALDH1A1
SCHEMBL3068495 0.76 SIGMAR1 (0.49) GAAALDH1A1
SCHEMBL15228984 0.76 L3MBTL1 (0.36) CES2CES1L3MBTL1KCNN4ALDH1A1
SCHEMBL30883191 0.76 L3MBTL1 (0.43) CES2CES1L3MBTL1GAAKCNN4
SCHEMBL3542145 0.75 CES2 (0.40) CES2CES1L3MBTL1GAAKCNN4
SCHEMBL14053250 0.73 CES2 (0.39) CES2CES1L3MBTL1GAAKCNN4

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-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US disclosed