SCHEMBL10997385

SCHEMBL10997385

CCNC(=N)NC(=O)C=Cc1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.56
NFKB1 P19838 1/20 0.55
MAOA P21397 1/20 0.53
BACE1 P56817 1/20 0.50
P4HB P07237 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
NFE2L2 Q16236 2/20 0.42
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL10997388 1.00 MAOB (0.56) MAOBNFKB1MAOABACE1P4HB
SCHEMBL10929642 0.90 MAOB (0.54) MAOBNFKB1MAOABACE1P4HB
SCHEMBL10997646 0.87 MAOB (0.59) MAOBNFKB1MAOABACE1P4HB
SCHEMBL10997649 0.87 MAOB (0.59) MAOBNFKB1MAOABACE1P4HB
SCHEMBL10995923 0.86 MAOB (0.53) MAOBNFKB1MAOABACE1P4HB
SCHEMBL10995917 0.86 MAOB (0.53) MAOBNFKB1MAOABACE1P4HB
SCHEMBL10928926 0.85 MAOB (0.57) MAOBNFKB1MAOABACE1P4HB
SCHEMBL10928933 0.85 MAOB (0.57) MAOBNFKB1MAOABACE1P4HB
SCHEMBL10996761 0.84 MAOB (0.55) MAOBNFKB1MAOABACE1P4HB
SCHEMBL10996758 0.84 MAOB (0.55) MAOBNFKB1MAOABACE1P4HB

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-4544670-A ANTIPROTOZOA AGENTS, GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS WILLIAM H. RORER, INC. (US) 1985-10-01 US disclosed