SCHEMBL15324691

SCHEMBL15324691

COC(=O)c1c(Br)c(Br)cc2c1OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 6/20 0.44
PLK1 P53350 1/20 0.43
POLB P06746 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
GLA P06280 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL31160037 0.85 ALDH1A1 (0.56) HPGDMEN1KMT2ANPSR1ALDH1A1
SCHEMBL9386246 0.81 SMN1; SMN2 (0.47) HPGDMEN1KMT2ANPSR1ALDH1A1
SCHEMBL17113270 0.77 MEN1 (0.52) HPGDMEN1KMT2ANPSR1ALDH1A1
SCHEMBL9867268 0.76 KDM4E (0.43) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL31160082 0.75 HSD17B10 (0.44) HPGDMEN1KMT2ANPSR1ALDH1A1
SCHEMBL28947282 0.75 KDM4E (0.54) HPGDMEN1KMT2ANPSR1ALDH1A1
SCHEMBL1279441 0.74 KDM4E (0.66) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL19124972 0.74 KDM4E (0.53) HPGDMEN1KMT2ANPSR1ALDH1A1
SCHEMBL3797257 0.72 HPGD (0.47) HPGDMEN1KMT2ANPSR1ALDH1A1
SCHEMBL15968932 0.72 PLK1 (0.42) HPGDMEN1KMT2ANPSR1ALDH1A1

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
WO-2013153535-A1 TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-17 WO disclosed
WO-2013153535-A1 TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-17 WO disclosed