SCHEMBL11299981

SCHEMBL11299981

CC(O)=C(C#N)C(=O)Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
TSHR P16473 1/20 0.45
MAPK10 P53779 1/20 0.45
KCNH2 Q12809 1/20 0.45
NR4A2 P43354 2/20 0.44
HCAR2 Q8TDS4 2/20 0.42
MAOA P21397 1/20 0.41
DHODH Q02127 1/20 0.40
SLC1A1 P43005 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
SRC P12931 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11299966 1.00 MAOB (0.46) MAOBTSHRMAPK10KCNH2NR4A2
SCHEMBL11303482 0.83 CTBP2 (0.49) MAOBNR4A2HCAR2MAOADHODH
SCHEMBL11303480 0.83 CTBP2 (0.49) MAOBNR4A2HCAR2MAOADHODH
SCHEMBL11301348 0.82 TP53 (0.43) MAOBMAPK10KDM4EGAARAB9A
SCHEMBL11301345 0.82 TP53 (0.43) MAOBMAPK10KDM4EGAARAB9A
SCHEMBL13799028 0.77 NR4A2 (0.44) MAOBNR4A2HCAR2SLC1A1RAB9A
SCHEMBL11300920 0.77 DHODH (0.43) MAOBNR4A2MAOADHODH
SCHEMBL5791660 0.76 SLC1A1 (0.49) NR4A2HCAR2SLC1A1SRC
SCHEMBL11301936 0.75 TSHR (0.44) MAOBTSHRDHODHMEN1KMT2A
SCHEMBL11301938 0.75 TSHR (0.44) MAOBTSHRDHODHMEN1KMT2A

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-4254048-A ANTIINFLAMMATORY AGENTS; FOR ARTHRITIS AMERICAN CYANAMID COMPANY (US) 1981-03-03 US claimed