SCHEMBL276151

SCHEMBL276151

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HTT P42858 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ATM Q13315 1/20 0.45
ALDH1A1 P00352 6/20 0.44
PKM P14618 2/20 0.44
HPGD P15428 1/20 0.43
MCL1 Q07820 1/20 0.43
LMNA P02545 1/20 0.43
EPHX1 P07099 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAF1 P04049 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNMA1 Q12791 1/20 0.41
GAA P10253 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
SCHEMBL327412 0.82 KMT2A (0.41) MAPTKMT2AMEN1HTTRXFP1
SCHEMBL12299501 0.81 MAPT (0.54) MAPTKMT2AMEN1HTTRXFP1
SCHEMBL13115119 0.79 ATM (0.52) MAPTKMT2AMEN1HTTRXFP1
SCHEMBL12299509 0.77 ALDH1A1 (0.54) MAPTKMT2AMEN1HTTRXFP1
SCHEMBL276024 0.77 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL13707237 0.76 PKM (0.57) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL1880162 0.76 ALDH1A1 (0.48) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL1880156 0.76 ALDH1A1 (0.48) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL12638062 0.76 ALDH1A1 (0.48) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL12299507 0.75 ALDH1A1 (0.67) MAPTKMT2AMEN1HTTALDH1A1

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