SCHEMBL7018030

SCHEMBL7018030

CCOC(=O)Oc1ncn(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
JMJD6 Q6NYC1 2/20 0.37
SOAT1 P35610 1/20 0.36
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LPO P22079 2/20 0.33
KMT2A Q03164 2/20 0.32
TNF P01375 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL10511469 0.73 ALDH1A1 (0.46) ALDH1A1SOAT1NPC1MAPK1MAPT
SCHEMBL9461194 0.72 JMJD6 (0.44) ALDH1A1JMJD6NPC1MAPK1RAB9A
SCHEMBL3258080 0.70 ADORA3 (0.40) ALDH1A1JMJD6SOAT1NPC1RAB9A
SCHEMBL28570578 0.70 ALDH1A1 (0.33) ALDH1A1KMT2A
SCHEMBL6677747 0.69 ALDH1A1 (0.41) ALDH1A1SOAT1MAPK1RAB9AMAPT
SCHEMBL10871776 0.69 ALDH1A1 (0.38) ALDH1A1SOAT1ADORA3ADORA2AADORA1
SCHEMBL7014619 0.68 EDNRB (0.42) ALDH1A1SOAT1ADORA3ADORA2AMAPT
SCHEMBL1758561 0.68 ALDH1A1 (0.36) ALDH1A1SOAT1NPC1RAB9ALMNA
SCHEMBL5983543 0.68 ADORA2A (0.38) ALDH1A1JMJD6SOAT1NPC1RAB9A
SCHEMBL4664835 0.68 ADORA2A (0.44) ALDH1A1SOAT1NPC1RAB9AADORA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353640-B2 Heterocyclic N-acylsulphonamides, process for their preparation, agents containing them and their use as herbicides and plant growth regulators BAYER CROPSCIENCE GMBH (DE) 2003-10-15 EP disclosed
EP-0353640-B1 Heterocyclic N-acylsulphonamides, process for their preparation, agents containing them and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1995-04-12 EP disclosed
EP-0353640-A2 Heterocyclic N-acylsulphonamides, process for their preparation, agents containing them and their use as herbicides and plant growth regulators Hoechst Schering AgrEvo GmbH (DE) 1990-02-07 EP disclosed