Acetonitrile

Acetonitrile

SCHEMBL8470403

CC#N.CC#N.CC#N.N#CCCCO

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
LOX P28300 1/20 0.32
LOXL3 P58215 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GBA1 P04062 1/20 0.31
MAPT P10636 1/20 0.31
NLRP3 Q96P20 1/20 0.31
LMNA P02545 2/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Acetonitrile SCHEMBL9264527 1.00 TSHR (0.48) TSHRALDH1A1TDP1LOXLOXL3
SCHEMBL201580 0.91
Alcohol SCHEMBL4630505 0.88
Alcohol SCHEMBL15650310 0.88 TSHR (0.55) TSHRALDH1A1TDP1LOXLOXL3
Isopropyl Alcohol SCHEMBL5702332 0.86 TSHR (0.46) TSHRALDH1A1TDP1LOXLOXL3
SCHEMBL366052 0.81
Acetonitrile SCHEMBL15232266 0.81 ALDH1A1 (0.44) TSHRALDH1A1TDP1LOXLOXL3
Acetonitrile SCHEMBL368969 0.81
Acetonitrile SCHEMBL169615 0.81 ALDH1A1 (0.44) TSHRALDH1A1TDP1LOXLOXL3
Acetonitrile SCHEMBL368167 0.81 ALDH1A1 (0.44) TSHRALDH1A1TDP1LOXLOXL3

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-5864032-A Phosphoramidite derivatives, their preparation and the use thereof in the incorporation of reporter groups on synthetic oligonucleotides AMERSHAM INTERNATIONAL PLC (GB) 1999-01-26 US disclosed
US-5567811-A Phosphoramidite derivatives, their preparation and the use thereof in the incorporation of reporter groups on synthetic oligonucleotides AMERSHAM INTERNATIONAL PLC (GB) 1996-10-22 US disclosed