SCHEMBL10520172

SCHEMBL10520172

NCC(=O)OC(OC(=O)CN)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
HTT P42858 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 1/20 0.40
KIF11 P52732 5/20 0.39
CYP3A4 P08684 1/20 0.39
RECQL P46063 1/20 0.39
KCNN4 O15554 5/20 0.39
MAPK1 P28482 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL3950448 0.84 KIF11 (0.47) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL10520473 0.82 KIF11 (0.43) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL2678001 0.81 CYP2C19 (0.48) MAPTKMT2ACYP2C19HIF1ACYP1A2
Hydrochloric Acid SCHEMBL7308786 0.79 CYP2C19 (0.47) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL1742568 0.78 CYP2C19 (0.46) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL9320362 0.78 CYP2C19 (0.42) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL340104 0.78 CYP2C19 (0.46) MAPTKMT2ACYP2C19HIF1ACYP1A2
Hydrochloric Acid SCHEMBL3839265 0.75 MAPK1 (0.49) CYP2C19HIF1ACYP1A2CYP2D6KIF11
SCHEMBL28665879 0.75 CYP2C19 (0.40) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL4955482 0.73 KCNN4 (0.45) MAPTKMT2ACYP2C19HIF1AHTT

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
EP-0311473-A1 Fluorinated derivate of amino acids, useful as tensioactive or cotensioactive agents, and preparations for biomedical use containing these derivatives APPLICATIONS ET TRANSFERTS DE TECHNOLOGIES AVANCEES ATTA (FR) 1989-04-12 EP disclosed