Sugi Predict

Sugi Predict / Compounds / SCHEMBL11746136

SCHEMBL11746136

SCHEMBL11746136

CC(CN=C=Nc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.42
▸ MIF P14174 4/20 0.41
▸ AOC3 Q16853 2/20 0.39
▸ TRPA1 O75762 4/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ GRM5 P41594 1/20 0.36
▸ C3AR1 Q16581 1/20 0.33
▸ FFAR1 O14842 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
SCHEMBL11748772 0.90 TAAR1 (0.38) TAAR1MIFAOC3TRPA1RIPK1
SCHEMBL11802091 0.86 SIGMAR1 (0.37) TAAR1MIFAOC3TRPA1FFAR1
SCHEMBL1007028 0.83 MIF (0.40) MIFTRPA1
SCHEMBL11748842 0.82 MAPK1 (0.41) TAAR1MIFC3AR1
SCHEMBL8761376 0.81 GBA1 (0.37) MIF
SCHEMBL11747749 0.80 MIF (0.46) TAAR1MIFAOC3TRPA1RIPK1
SCHEMBL11751211 0.79 TAAR1 (0.47) TAAR1MIFAOC3TRPA1RIPK1
SCHEMBL11749552 0.79 MIF (0.52) TAAR1MIFAOC3TRPA1RIPK1
SCHEMBL11750277 0.77 TRPA1 (0.44) TAAR1MIFAOC3TRPA1RIPK1
SCHEMBL11746879 0.77 TAAR1 (0.41) TAAR1MIFAOC3TRPA1RIPK1

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