SCHEMBL6586648

SCHEMBL6586648

O=C(O)C=C(Nc1ccc(Br)cc1OCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
CYP19A1 P11511 1/20 0.46
LRRK2 Q5S007 10/20 0.45
USP28 Q96RU2 1/20 0.43
USP25 Q9UHP3 1/20 0.43

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
SCHEMBL6586645 1.00 BRD4 (0.46) BRD4TDP1L3MBTL1USP2LMNA
SCHEMBL6584406 0.91 LMNA (0.48) BRD4TDP1L3MBTL1USP2LMNA
SCHEMBL6584410 0.91 LMNA (0.48) BRD4TDP1L3MBTL1USP2LMNA
SCHEMBL6589729 0.85 BRD4 (0.63) BRD4TDP1L3MBTL1CYP19A1
SCHEMBL6589731 0.85 BRD4 (0.63) BRD4TDP1L3MBTL1CYP19A1
SCHEMBL6080348 0.81 LMNA (0.52) BRD4TDP1L3MBTL1USP2LMNA
SCHEMBL6587301 0.80 LPAR1 (0.49) TDP1L3MBTL1LMNA
SCHEMBL6587300 0.80 LPAR1 (0.49) TDP1L3MBTL1LMNA
SCHEMBL6588706 0.79 BRD4 (0.46) BRD4TDP1L3MBTL1LMNA
SCHEMBL6588711 0.79 BRD4 (0.46) BRD4TDP1L3MBTL1LMNA

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