SCHEMBL327412

SCHEMBL327412

COc1cc([N+](=O)[O-])ccc1N/N=C(\C(C)=O)C(=O)Nc1ccc(CC(O)(OP(O)O)O[PH](=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.39
EPHX1 P07099 1/20 0.38
RAF1 P04049 1/20 0.38
HPGD P15428 1/20 0.38
MCL1 Q07820 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL276151 0.82 MAPT (0.47) KMT2AMAPTMEN1HTTRXFP1
SCHEMBL321420 0.79 MAPT (0.41) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL12299501 0.77 MAPT (0.54) KMT2AMAPTMEN1HTTRXFP1
SCHEMBL13115119 0.75 ATM (0.52) KMT2AMAPTMEN1HTTRXFP1
SCHEMBL12299509 0.73 ALDH1A1 (0.54) KMT2AMAPTMEN1HTTRXFP1
SCHEMBL13707237 0.72 PKM (0.57) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL1880156 0.71 ALDH1A1 (0.48) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL12638062 0.71 ALDH1A1 (0.48) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL1880162 0.71 ALDH1A1 (0.48) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL12299507 0.71 ALDH1A1 (0.67) KMT2AMAPTMEN1HTTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133311-B2 Liquid vehicle, pigment, and non-polymeric dispersant containing diphosphate groups; ink jet inks CABOT CORPORATION (US) 2012-03-13 US disclosed
US-20080264298-A1 Pigment dipsersions comprising functionalized non-polymeric dispersants CABOT CORPORATION 2008-10-30 US disclosed