Acetonitrile

Acetonitrile

SCHEMBL2818707

CC#N.CC(C)(C)c1ccccn1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHRM2 P08172 1/20 0.38
SQOR Q9Y6N5 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
METAP1 P53582 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
DOHH Q9BU89 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
AHR P35869 1/20 0.35
PLCG1 P19174 1/20 0.35
DPP4 P27487 1/20 0.34

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
SCHEMBL29080 0.89 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2ALDH1A1KDM4E
SCHEMBL29349628 0.89 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2ALDH1A1KDM4E
SCHEMBL29798224 0.87 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1CHRM2ALDH1A1KDM4E
SCHEMBL29016490 0.87 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1CHRM2ALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL7412270 0.87 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1CHRM2ALDH1A1KDM4E
Iodide SCHEMBL2177798 0.87 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1CHRM2ALDH1A1KDM4E
SCHEMBL28038463 0.81 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM2ALDH1A1KDM4E
SCHEMBL5149700 0.79 SMN1; SMN2 (0.38) SMN1; SMN2L3MBTL1CHRM2SQORALDH1A1
SCHEMBL1238391 0.79 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM2SQORALDH1A1
SCHEMBL29650409 0.79 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM2SQORALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105161306-B A kind of light anode method of modifying for improving DSSC stability 商丘师范学院 2018-01-16 CN disclosed
CN-103700509-B Preparation method of solid-state sensitized battery 常州大学 2017-02-08 CN disclosed
US-8227733-B2 Combined photoelectric conversion device KYOCERA CORPORATION (JP) 2012-07-24 US disclosed
US-20100243863-A1 Combined Photoelectric Conversion Device KYOCERA CORPORATION (JP) 2010-09-30 US disclosed