SCHEMBL20123404

SCHEMBL20123404

COCCNC(=O)OCN

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.44
DDAH1 O94760 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL871736 0.82 ACHE (0.47) ACHEMEN1KMT2A
SCHEMBL9493217 0.81 ACHE (0.50) ACHEMEN1KMT2AHPGDGLA
Ammonia Solution, Strong SCHEMBL9998424 0.81 ACHE (0.55) ACHEMEN1KMT2AALDH1A1TDP1
SCHEMBL791894 0.80
SCHEMBL12590855 0.79 ACHE (0.59) ACHE
SCHEMBL12987284 0.79 ACHE (0.44) ACHEMEN1KMT2AALDH1A1TDP1
SCHEMBL1416143 0.79 ACHE (0.44) ACHEMEN1KMT2AALDH1A1TDP1
SCHEMBL26928170 0.78
SCHEMBL20123338 0.78
SCHEMBL15223682 0.78 ACHE (0.52) ACHEMEN1KMT2AKDM4EGLA

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-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed