SCHEMBL9073207

SCHEMBL9073207

CC(N)CSSCC(N)C#N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL15702330 0.79 TSHR (0.50) TSHRCYP3A4CYP2D6NFKB1THPO
SCHEMBL6904890 0.79 TSHR (0.50) TSHRCYP3A4CYP2D6NFKB1THPO
SCHEMBL13819753 0.69
SCHEMBL12773076 0.65
SCHEMBL5353428 0.64
SCHEMBL2914504 0.64
SCHEMBL8506673 0.64
SCHEMBL19163687 0.63
SCHEMBL19197762 0.63
SCHEMBL12773085 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587303-A HYDROLYSIS OF NITRILE CONTAINING AMINE COMPOUND NIPPON MINING COMPANY, LTD. (JP) 1996-12-24 US disclosed
EP-0332379-B1 Production process of L-alpha-amino acids JAPAN ENERGY CORP (JP) 1996-08-14 EP disclosed
EP-0332379-A2 Production process of L-alpha-amino acids JAPAN ENERGY CORPORATION (JP) 1989-09-13 EP disclosed