SCHEMBL6587807

SCHEMBL6587807

COc1ccc(Br)cc1N/C(=C\C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 1/20 0.48
CREBBP Q92793 1/20 0.44
MEN1 O00255 5/20 0.43
POLB P06746 3/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL6587809 1.00 KMT2A (0.48) KMT2AMAPTALDH1A1MAPK1HTT
SCHEMBL6587301 0.89 LPAR1 (0.49) KMT2AMAPTALDH1A1HTTMEN1
SCHEMBL6587300 0.89 LPAR1 (0.49) KMT2AMAPTALDH1A1HTTMEN1
SCHEMBL6587740 0.84 MEN1 (0.57) KMT2AMAPTALDH1A1MAPK1MEN1
SCHEMBL6587736 0.84 MEN1 (0.57) KMT2AMAPTALDH1A1MAPK1MEN1
SCHEMBL14721362 0.81 ALDH1A1 (0.52) KMT2AMAPTALDH1A1MAPK1HTT
SCHEMBL6586201 0.80 CREBBP (0.41) KMT2AMAPTALDH1A1MAPK1HTT
SCHEMBL6584410 0.80 LMNA (0.48) ALDH1A1HTTPOLBLMNAKDM4E
SCHEMBL6584406 0.80 LMNA (0.48) ALDH1A1HTTPOLBLMNAKDM4E
SCHEMBL6080904 0.78 MEN1 (0.56) KMT2AMAPTALDH1A1MAPK1MEN1

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
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed