SCHEMBL690689

SCHEMBL690689

COc1cc(NC(=O)O)c(Br)c(OC)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
ALDH1A1 P00352 3/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL30434717 0.83 AAK1 (0.40) ABCB1MEN1KMT2APOLBPTPN1
SCHEMBL145071 0.83 AAK1 (0.40) ABCB1MEN1KMT2APOLBPTPN1
SCHEMBL27780036 0.77 LCK (0.56) MEN1KMT2AHPGDMAPTPOLB
SCHEMBL2113203 0.75 KDM4E (0.53) KMT2AHPGDMAPTPOLBNPSR1
SCHEMBL691268 0.72 KMT2A (0.46) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL14438192 0.71 ACHE (0.43) MEN1KMT2AHPGDMAPTPOLB
SCHEMBL16229258 0.71 CYP2C9 (0.49) ABCB1MAPTCYP3A4NPSR1PTPN1
SCHEMBL505418 0.70 LCK (0.56) HPGDMAPTNPSR1TDP1PTPN1
SCHEMBL31079121 0.70 LPAR1 (0.57) MEN1KMT2AHPGDMAPTPOLB
SCHEMBL14721362 0.70 ALDH1A1 (0.52) MEN1KMT2AMAPTPOLBGFER

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-2421533-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-02-29 EP disclosed
WO-2010123975-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-10-28 WO disclosed