SCHEMBL8420879

SCHEMBL8420879

NC(=O)c1cc(CNC(=O)c2ccc(OP(=O)(O)O)cc2)ccc1OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.68
STAT5A P42229 2/20 0.50
STAT5B P51692 2/20 0.50
SGMS2 Q8NHU3 1/20 0.49
SPHK2 Q9NRA0 2/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PARP1 P09874 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.46
HDAC1 Q13547 1/20 0.45

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
SCHEMBL8810755 0.90 SRC (0.63) SRCSTAT5ASTAT5BLMNAPARP1
SCHEMBL8812940 0.88 SRC (0.66) SRCSTAT5ASTAT5BLMNA
SCHEMBL8812189 0.82 SRC (0.65) SRCSTAT5ASTAT5B
SCHEMBL8417324 0.81 SRC (1.00) SRC
SCHEMBL8813451 0.79 SRC (0.62) SRCSTAT5ASTAT5B
SCHEMBL8421232 0.71 SRC (1.00) SRCSTAT5ASTAT5B
SCHEMBL9416636 0.71 SMPD1 (0.70) LMNAL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL9416543 0.71 SMPD1 (0.70) LMNAL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL551533 0.71 PARP1 (0.57) LMNAMAPTL3MBTL1PARP1SMN1; SMN2
SCHEMBL6809852 0.71 FOLH1 (0.57) SGMS2LMNAL3MBTL1PARP1

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
US-5922697-A Compounds, compositions and methods for inhibiting the binding of proteins containing an SH2 domain to cognate phosphorylated proteins WARNER-LAMBERT COMPANY (US) 1999-07-13 US disclosed