SCHEMBL28405840

SCHEMBL28405840

N#Cc1cc(NO[PH](=O)O)n(-c2cccc(Br)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RPA1 P27694 1/20 0.36
▸ CNR2 P34972 3/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ NPBWR1 P48145 1/20 0.32
▸ KCNJ6 P48051 3/20 0.31
▸ KCNJ5 P48544 3/20 0.31
▸ KCNJ3 P48549 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GRM5 P41594 1/20 0.31

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
SCHEMBL28405837 0.91 RPA1 (0.35) RPA1CNR2CNR1MGLLRXFP1
SCHEMBL28395388 0.87 RECQL (0.34) LMNA
SCHEMBL28398495 0.87 GRM5 (0.38) KCNJ6KCNJ5KCNJ3LMNAGRM5
SCHEMBL28400109 0.86 KMT2A (0.39) MGLLKCNJ6KCNJ5KCNJ3GRM5
SCHEMBL28392426 0.80 MAPT (0.40) RPA1CNR1LMNAGRM5
SCHEMBL28396599 0.80 PTGS2 (0.44) KCNJ6KCNJ5KCNJ3LMNAGRM5
SCHEMBL28398225 0.80 SMN1; SMN2 (0.39) LMNA
SCHEMBL28392588 0.79 ALDH1A1 (0.44) RPA1LMNA
SCHEMBL28395385 0.77 RECQL (0.35) KCNJ6KCNJ5KCNJ3LMNA
SCHEMBL28398492 0.77 BCAT1 (0.38) KCNJ6KCNJ5KCNJ3LMNAGRM5

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-108203450-B Preparation method and application of amino phosphonate containing arylpyrazole compound 南京工业大学 2020-05-19 — — CN disclosed
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