SCHEMBL11749552

SCHEMBL11749552

CC(CN=C=NC(C)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.52
TAAR1 Q96RJ0 3/20 0.42
AOC3 Q16853 2/20 0.39
TRPA1 O75762 4/20 0.38
RIPK1 Q13546 1/20 0.38
NOS2 P35228 1/20 0.37
LMNA P02545 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2C P18825 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
SCHEMBL11747749 0.80 MIF (0.46) MIFTAAR1AOC3TRPA1RIPK1
SCHEMBL11751211 0.79 TAAR1 (0.47) MIFTAAR1AOC3TRPA1RIPK1
SCHEMBL11746136 0.79 TAAR1 (0.42) MIFTAAR1AOC3TRPA1RIPK1
SCHEMBL11746879 0.77 TAAR1 (0.41) MIFTAAR1AOC3TRPA1RIPK1
SCHEMBL11750277 0.77 TRPA1 (0.44) MIFTAAR1AOC3TRPA1RIPK1
SCHEMBL462795 0.76 TAAR1 (0.47) MIFTAAR1AOC3TRPA1RIPK1
SCHEMBL4699559 0.76 MIF (0.68) MIFTAAR1AOC3TRPA1RIPK1
SCHEMBL29022653 0.76 TAAR1 (0.47) MIFTAAR1AOC3TRPA1RIPK1
SCHEMBL23709962 0.75 MIF (0.61) MIFTAAR1NOS2LMNAADRA2A
SCHEMBL5467343 0.75 TAAR1 (0.50) MIFTAAR1AOC3TRPA1RIPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4056631-A CARBODIMINES, MITICIDE SHOWA DENKO K.K. (JA) 1977-11-01 US claimed
US-4056631-A CARBODIMINES, MITICIDE SHOWA DENKO K.K. (JA) 1977-11-01 US disclosed