SCHEMBL7208150

SCHEMBL7208150

COc1cc(Br)c2cccc(C)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
PARP1 P09874 2/20 0.40
TNKS O95271 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
PDPK1 O15530 1/20 0.39
ELANE P08246 1/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 1/20 0.39
PARP2 Q9UGN5 1/20 0.38
POLB P06746 2/20 0.38
RAD52 P43351 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PSMD14 O00487 1/20 0.38
MITF O75030 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
SCHEMBL7218856 0.82 ELANE (0.43) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7694007 0.81 MAPT (0.55) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7219924 0.79 TP53 (0.54) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7208047 0.76 KDM4E (0.42) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL16008615 0.74 POLB (0.50) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL30719617 0.74 POLB (0.50) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7692631 0.73 HPGD (0.50) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3857238 0.73 KDM4E (0.51) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL12507362 0.73 MTNR1A (0.50) MAPTKMT2A
SCHEMBL6806506 0.72 ELANE (0.47) MAPTKDM4EALDH1A1HPGDSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608085-B1 Administering for neuroprotection VERNALIS RESEARCH LIMITED (GB) 2003-08-19 US disclosed
US-6583156-B1 Particularly adenosine A2A receptors; neurodegenerative disorders; 2,8-bis(trifluoromethyl)-alpha -(3-thienyl)-4-quinolinemethanol VERNALIS RESEARCH LIMITED (GB) 2003-06-24 US disclosed
EP-1107761-A2 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (II) VERNALIS RESEARCH LIMITED (GB) 2001-06-20 EP disclosed
EP-1107760-A2 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (I) VERNALIS RESEARCH LIMITED (GB) 2001-06-20 EP disclosed
WO-2000013682-A2 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS.(II) VERNALIS RESEARCH LIMITED (GB) 2000-03-16 WO disclosed
WO-2000013681-A2 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (I) VERNALIS RESEARCH LIMITED (GB) 2000-03-16 WO disclosed