SCHEMBL10559409

SCHEMBL10559409

CCOC(=O)c1cn(NC=O)c2c(OCc3ccccc3)c(F)c(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.47
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRB2 P07550 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.38
MAOB P27338 1/20 0.38
P2RX3 P56373 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRB2 P47870 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PIM1 P11309 1/20 0.37
IRAK1 P51617 1/20 0.37
CAMK2B Q13554 1/20 0.37
CAMK2G Q13555 1/20 0.37
CAMK2D Q13557 1/20 0.37

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
SCHEMBL10560775 0.90 STAT3 (0.46) STAT3KMT2ATSHRMAPK1ADRB2
SCHEMBL10563639 0.85 STAT3 (0.50) STAT3KMT2ATSHRMAPK1ADRB2
SCHEMBL10560764 0.84 STAT3 (0.46) STAT3KMT2ATSHRMAPK1ADRB2
SCHEMBL583970 0.82 ADRB2 (0.54) STAT3ADRB2TDP1
SCHEMBL10562164 0.74 STAT3 (0.58) STAT3TSHRMAPK1TDP1
SCHEMBL9426477 0.73 STAT3 (0.59) STAT3KMT2ATSHRADRB2TDP1
SCHEMBL10669008 0.73 STAT3 (0.54) STAT3KMT2ATSHRADRB2TDP1
SCHEMBL9534547 0.73 STAT3 (0.46) STAT3HSP90AA1
SCHEMBL9870208 0.72 STAT3 (0.64) STAT3KMT2AADRB2TDP1HTT
Hydrochloric Acid SCHEMBL9427147 0.72 STAT3 (0.58) STAT3KMT2ATSHRADRB2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4864023-A MICROBIOCIDES, BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1989-09-05 US disclosed
US-4801584-A ANTIMICROBIAL HOFFMANN-LA ROCHE INC. (US) 1989-01-31 US disclosed