Acetonitrile

Acetonitrile

SCHEMBL28004265

CC#N.CCCCc1ccncc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
TSHR P16473 2/20 0.50
HRH1 P35367 2/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
S1PR1 P21453 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL346623 0.89 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTTSHRHRH1
Fluoride SCHEMBL29251977 0.87 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTTSHRHRH1
Bromide SCHEMBL547143 0.87 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTTSHRHRH1
Dibromomethane SCHEMBL504057 0.83 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTTSHRHRH1
Ammonia Solution, Strong SCHEMBL28678792 0.83 LMNA (0.55) SMN1; SMN2LMNAHTTTSHRHRH1
SCHEMBL369568 0.83 HRH1 (0.59) SMN1; SMN2LMNAHTTTSHRHRH1
Hydrochloric Acid SCHEMBL29094172 0.82 HRH1 (0.59) SMN1; SMN2LMNAHTTTSHRHRH1
SCHEMBL25380899 0.81 HRH1 (0.63) SMN1; SMN2LMNAHTTTSHRHRH1
SCHEMBL2956960 0.81 HRH1 (0.63) SMN1; SMN2LMNAHTTTSHRHRH1
SCHEMBL2953743 0.81 HRH1 (0.63) SMN1; SMN2LMNAHTTTSHRHRH1

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
CN-104538191-B The preparation method and dye-sensitized solar cell anode and DSSC of dye-sensitized solar cell anode 中南大学 2017-11-07 CN disclosed
CN-104538191-A Preparation method of photo-anode of dye-sensitized solar cell, photo-anode of dye-sensitized solar cell, and dye-sensitized solar cell UNIV CENTRAL SOUTH 2015-04-22 CN disclosed