SCHEMBL6587300

SCHEMBL6587300

COc1cc(Br)ccc1N/C(=C\C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.49
GAA P10253 3/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 3/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL6587301 1.00 LPAR1 (0.49) LPAR1GAAALDH1A1MAPTNPC1
SCHEMBL6587807 0.89 KMT2A (0.48) GAAALDH1A1MAPTNPC1RAB9A
SCHEMBL6587809 0.89 KMT2A (0.48) GAAALDH1A1MAPTNPC1RAB9A
SCHEMBL6587522 0.84 EPHX1 (0.53) LPAR1GAAALDH1A1MAPTNPC1
SCHEMBL6585742 0.84 EPHX1 (0.53) LPAR1GAAALDH1A1MAPTNPC1
SCHEMBL6585901 0.82 ALDH1A1 (0.48) GAAALDH1A1MAPTNPC1RAB9A
SCHEMBL6585904 0.82 ALDH1A1 (0.48) GAAALDH1A1MAPTNPC1RAB9A
SCHEMBL2076016 0.81 LPAR1 (0.57) LPAR1GAAALDH1A1MAPTNPC1
SCHEMBL31079121 0.81 LPAR1 (0.57) LPAR1GAAALDH1A1MAPTNPC1
SCHEMBL6586645 0.80 BRD4 (0.46) LMNATDP1L3MBTL1

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