SCHEMBL276024

SCHEMBL276024

COc1ccccc1NC(=O)/C(=N/Nc1ccc(CC(O)(P(=O)(O)O)P(=O)(O)O)cc1)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
CASP6 P55212 1/20 0.45
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.40
FDPS P14324 1/20 0.40
GAA P10253 1/20 0.39
MLYCD O95822 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL14435616 0.82 TDP1 (0.51) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL12998571 0.81 ALDH1A1 (0.65) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL321420 0.79 MAPT (0.41) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL12299485 0.78 MAPT (0.56) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL276151 0.77 MAPT (0.47) MAPTALDH1A1TDP1POLBKMT2A
SCHEMBL12452892 0.74 HTT (0.48) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL14435436 0.72 POLB (0.47) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL1886597 0.71 MAPT (0.51) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL1886591 0.71 MAPT (0.51) MAPTALDH1A1MAPK1TDP1POLB
SCHEMBL12299488 0.71 RAB9A (0.64) MAPTALDH1A1MAPK1TDP1POLB

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