SCHEMBL28323973

SCHEMBL28323973

NC1CCCCC1(N)CO

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.31

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
SCHEMBL940875 0.81 THRB (0.30)
SCHEMBL1408287 0.77 KDM1A (0.31) KDM1A
Hydrochloric Acid SCHEMBL28814652 0.76 KDM1A (0.32) KDM1A
SCHEMBL420260 0.75 CYP1A2 (0.41)
SCHEMBL9320553 0.75 CYP2C19 (0.33)
SCHEMBL9537041 0.75 CYP1A2 (0.41)
SCHEMBL9537043 0.75 CYP1A2 (0.41)
SCHEMBL4451124 0.74 KDM1A (0.34) KDM1A
SCHEMBL9301362 0.74 CYP1A2 (0.40)
SCHEMBL11143116 0.74 CYP1A2 (0.40)

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-106573879-B Enhanced extraction of impurities from nitrile containing mixtures 英威达纺织(英国)有限公司 2019-09-24 CN disclosed