SCHEMBL28186757

SCHEMBL28186757

O=c1[nH]nc(O)cc1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
BACE1 P56817 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
BTK Q06187 1/20 0.41
ALOX15 P16050 1/20 0.41
HDAC1 Q13547 1/20 0.41
TP53 P04637 1/20 0.41
AKR1B1 P15121 1/20 0.41
RET P07949 1/20 0.40
MET P08581 1/20 0.40
LTK P29376 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
SCHEMBL1754735 0.82 POLB (0.57) ATMNPSR1JAK2JAK1TYK2
SCHEMBL8480564 0.79 JAK2 (0.51) ATMNPSR1JAK2JAK1TYK2
SCHEMBL4040084 0.79 HPGD (0.46) ATMNPSR1JAK2JAK1TYK2
SCHEMBL1754686 0.75 GSK3B (0.49) ALDH1A1ALOX15TP53RPS6KA3DYRK1A
SCHEMBL22643908 0.75 JAK2 (0.44) ATMNPSR1JAK2JAK1TYK2
SCHEMBL4045467 0.75 CYP1A2 (0.43) ATMNPSR1JAK2JAK1TYK2
SCHEMBL705177 0.74 MAPT (0.56) NPSR1ALOX15TP53RETCYP1A2
SCHEMBL8479885 0.74 ALDH1A1 (0.43) ATMNPSR1JAK2JAK1TYK2
SCHEMBL27598057 0.74 PIN1 (0.56) ALDH1A1BTKCYP1A2PRMT5
SCHEMBL15579658 0.72 TP53 (0.56) ATMNPSR1ALOX15TP53RET

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-107446840-A One plant of 2 pyridazinone degradation bacteria of 6 hydroxyl of phenyl 3 and its application 江苏南资环保股份有限公司 2017-12-08 CN claimed