SCHEMBL28307490

SCHEMBL28307490

CCCC(OCCC#N)(OCCC#N)OCCC#N

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL31691196 0.87 TSHR (0.46) TSHRMEN1KMT2ACYP2C9CYP2C19
SCHEMBL25296937 0.85 TSHR (0.44) TSHRMEN1KMT2ACYP2C9CYP2C19
SCHEMBL24720928 0.83 ALDH1A1 (0.35) MEN1KMT2ACYP2C9CYP2C19HTT
SCHEMBL2987287 0.81 MEN1 (0.41) TSHRMEN1KMT2ACYP2C9CYP2C19
SCHEMBL17093434 0.77 CA2 (0.31)
SCHEMBL28446452 0.75
SCHEMBL4756149 0.71 MEN1 (0.45) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL25729066 0.71 MEN1 (0.34) TSHRMEN1KMT2ACYP2C9CYP2C19
SCHEMBL10938325 0.70 HTT (0.43) TSHRMEN1KMT2ACYP2C9CYP2C19
SCHEMBL8404973 0.70 CYP3A4 (0.40) TSHRALDH1A1

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
CN-109980225-A Electrochemical device and electronic device comprising same 宁德新能源科技有限公司 2019-07-05 CN disclosed