SCHEMBL28115657

SCHEMBL28115657

COc1ccnc(OC)n1.N=C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
FFAR1 O14842 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TXNRD1 Q16881 1/20 0.33
LOX P28300 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
PDPK1 O15530 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
POLB P06746 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 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
SCHEMBL29520064 0.88 CCR1 (0.41) MTNR1AMTNR1BFFAR1TDP1LMNA
SCHEMBL12015 0.88 CCR1 (0.41) MTNR1AMTNR1BFFAR1TDP1LMNA
SCHEMBL27990718 0.86 CCR1 (0.40) MTNR1AMTNR1BFFAR1TDP1LMNA
SCHEMBL21360044 0.81 TDP1 (0.38) MTNR1AMTNR1BFFAR1TDP1LMNA
Boric Acid SCHEMBL29053153 0.81 TDP1 (0.38) MTNR1AMTNR1BFFAR1TDP1LMNA
SCHEMBL14394548 0.75 CCR1 (0.38) MTNR1AMTNR1BCCR1CCR5CCR8
SCHEMBL12873555 0.72 MAP4K1 (0.39) MTNR1AMTNR1BCCR1CCR5CCR8
SCHEMBL9826580 0.72 ATR (0.44) LMNAL3MBTL1POLBRAB9A
Sulfanilamide SCHEMBL28100665 0.72 LMNA (0.50) TDP1LMNA
SCHEMBL23361175 0.71 MTNR1A (0.38) MTNR1AMTNR1BCCR1CCR5CCR8

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-106349168-A Preparation method of foramsulfuron intermediate of sulfonylurea herbicide 淮安国瑞化工有限公司 2017-01-25 CN disclosed