SCHEMBL13656153

SCHEMBL13656153

C=Cc1ccc(C(=O)Nc2c3ccccc3nc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MAPK1 P28482 3/20 0.52
POLB P06746 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HDAC2 Q92769 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC6 Q9UBN7 4/20 0.51
NCOR2 Q9Y618 3/20 0.51
HDAC3 O15379 3/20 0.51
ACHE P22303 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51

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
SCHEMBL26417130 0.77 PTPN1 (0.65) MEN1KMT2APOLBHTTHDAC2
SCHEMBL9350852 0.75 KDM4E (0.57) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3282351 0.74 HDAC2 (0.45) MEN1KMT2AMAPK1POLBLMNA
SCHEMBL774145 0.74 NPC1 (0.72) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9197688 0.73 PTPN1 (0.65) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL13656136 0.73 KDM4E (0.51) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL19501832 0.72 SIRT1 (0.70) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL14302483 0.72 MEN1 (0.75) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL26417175 0.71 MEN1 (0.57) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14303131 0.71 NPC1 (0.58) MAPTMEN1KMT2ASMN1; SMN2POLB

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-20090246481-A1 DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20090246481-A1 DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed