SCHEMBL11849336

SCHEMBL11849336

C=CCOCC=C.OC(c1ccccc1)c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MLKL Q8NB16 3/20 0.58
▸ IDO1 P14902 1/20 0.50
▸ GAA P10253 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALPL P05186 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PDE10A Q9Y233 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL30601597 0.85 MLKL (0.77) MLKLIDO1GAAL3MBTL1KMT2A
SCHEMBL899731 0.85 MLKL (0.77) MLKLIDO1GAAL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL28259019 0.83 MLKL (0.74) MLKLIDO1GAAL3MBTL1KMT2A
SCHEMBL11849342 0.79 MLKL (0.51) MLKLIDO1GAAL3MBTL1KMT2A
SCHEMBL7946544 0.75 IDO1 (0.78) MLKLIDO1GAAL3MBTL1KMT2A
SCHEMBL28647288 0.75 ALDH1A1 (0.53) MLKLIDO1GAAL3MBTL1KMT2A
Benzimidazole SCHEMBL10716118 0.75 MLKL (0.62) MLKLIDO1GAAL3MBTL1KMT2A
SCHEMBL14770661 0.73 MLKL (0.72) MLKLIDO1GAAL3MBTL1KMT2A
SCHEMBL8154223 0.72 ALDH1A1 (0.53) MLKLIDO1GAAL3MBTL1KMT2A
SCHEMBL11663293 0.71 IDO1 (0.66) MLKLIDO1GAAL3MBTL1KMT2A

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-3970535-A Photopolymerization process utilizing a 2-methyl-substituted benzimidazole as a photosensitizer SCM CORPORATION (US) 1976-07-20 — — US claimed
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