SCHEMBL27832205

SCHEMBL27832205

CCOP(=O)(OCC)C(Cc1ccccc1)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 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
SCHEMBL27828383 0.89 GAA (0.55) NPSR1KDM4EPOLBMAPTKMT2A
SCHEMBL27846959 0.84 LAP3 (0.46) NPSR1POLBMEN1KMT2AGAA
SCHEMBL7878480 0.84 POLB (0.49) NPSR1KDM4EPOLBMAPTMEN1
SCHEMBL7274374 0.84 POLB (0.49) NPSR1KDM4EPOLBMAPTMEN1
SCHEMBL11163507 0.82 MEN1 (0.58) NPSR1KDM4EPOLBMAPTMEN1
SCHEMBL14377773 0.78 SMN1; SMN2 (0.60) POLBGAASMN1; SMN2
SCHEMBL14377755 0.77 F2 (0.59) POLBGAASMN1; SMN2
SCHEMBL14377732 0.76 GAA (0.51) NPSR1KDM4EPOLBMAPTMEN1
SCHEMBL13685284 0.76 POLB (0.53) NPSR1KDM4EPOLBMAPTMEN1
SCHEMBL14376753 0.75 F2 (0.63)

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-102321120-A Method for synthesizing alpha-aminophosphonate through water phase cleaning UNIV YANCHENG TEACHERS 2012-01-18 CN disclosed