SCHEMBL20959692

SCHEMBL20959692

CCNC(CCNC)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TACR1 P25103 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
KMT2A Q03164 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MAPT P10636 1/20 0.41
S1PR1 P21453 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSK P43235 1/20 0.40
FOLH1 Q04609 1/20 0.40

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
SCHEMBL2137146 0.87 CTSK (0.51) ALDH1A1TACR1POLBCTSLCTSS
SCHEMBL2137853 0.87 CTSK (0.51) ALDH1A1TACR1POLBCTSLCTSS
Hydrochloric Acid SCHEMBL2137848 0.86 CTSK (0.50) ALDH1A1TACR1POLBCTSLCTSS
Hydrochloric Acid SCHEMBL2137140 0.86 CTSK (0.50) ALDH1A1TACR1POLBCTSLCTSS
Hydrochloric Acid SCHEMBL2137149 0.86 CTSK (0.50) ALDH1A1TACR1POLBCTSLCTSS
SCHEMBL2135261 0.84 ALDH1A1 (0.51) ALDH1A1TACR1POLBCTSLCTSS
SCHEMBL2135267 0.84 ALDH1A1 (0.51) ALDH1A1TACR1POLBCTSLCTSS
SCHEMBL2137673 0.84 ALDH1A1 (0.51) ALDH1A1TACR1POLBCTSLCTSS
SCHEMBL23114754 0.82 ALDH1A1 (0.50) ALDH1A1TACR1POLBCTSLCTSS
SCHEMBL23104759 0.82 ALDH1A1 (0.50) ALDH1A1TACR1POLBCTSLCTSS

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-3153553-B1 CONDUCTIVE POLYMER COMPOSITION, COATED ARTICLE, AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2019-05-01 EP disclosed