SCHEMBL27725504

SCHEMBL27725504

Cc1ncncc1C(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.38
P2RX7 Q99572 1/20 0.34
ICOSLG O75144 1/20 0.34
ICOS Q9Y6W8 1/20 0.34
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CRACR2A Q9BSW2 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP11B2 P19099 1/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HDAC4 P56524 1/20 0.30

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
SCHEMBL29364820 0.81 HPGD (0.47) ABL1TDP1HCAR2KDM4EKMT2A
SCHEMBL8578654 0.81 SMN1; SMN2 (0.45) ABL1SIRT3TDP1HCAR2CRACR2A
SCHEMBL1667344 0.81 HPGD (0.47) ABL1TDP1HCAR2KDM4EKMT2A
SCHEMBL24166309 0.79 SIRT3 (0.50) ABL1SIRT3TDP1KDM4EKMT2A
SCHEMBL4826147 0.77 LMNA (0.35) HCAR2GPBAR1SMN1; SMN2
SCHEMBL22791669 0.76 ALDH1A1 (0.43) ABL1ICOSLGICOSKDM4ESMN1; SMN2
SCHEMBL8005261 0.76 ABL1 (0.34) ABL1ICOSLGICOSSIRT3TDP1
SCHEMBL1669584 0.73 TSHR (0.48) KDM4EKMT2AHPGDSMN1; SMN2
SCHEMBL29906642 0.73 TSHR (0.48) KDM4EKMT2AHPGDSMN1; SMN2
SCHEMBL11602586 0.73 ABL1 (0.35) ABL1P2RX7ICOSLGICOSSIRT3

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-101330828-A Isoxazolines for controlling invertebrate pests DU PONT (US) 2008-12-24 CN disclosed