SCHEMBL1699672

SCHEMBL1699672

CC(=O)Cc1ccc(Br)cc1.CCOC(=O)/C=C(\C)Cc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
S1PR4 O95977 1/20 0.42
MAPT P10636 1/20 0.42
S1PR1 P21453 1/20 0.42
HTT P42858 2/20 0.42
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 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
SCHEMBL1699673 1.00 KMT2A (0.42) KMT2AMEN1LMNAMAPK1NPSR1
SCHEMBL1699439 0.96 KMT2A (0.45) KMT2AMEN1LMNAMAPK1NPSR1
SCHEMBL1699438 0.96 KMT2A (0.45) KMT2AMEN1LMNAMAPK1NPSR1
SCHEMBL13221596 0.82 CA2 (0.51) KMT2AMEN1LMNANPSR1MAPT
SCHEMBL10296054 0.80 MAPT (0.48) KMT2AMEN1MAPK1NPSR1MAPT
SCHEMBL11310922 0.80 MAPT (0.48) KMT2AMEN1MAPK1NPSR1MAPT
SCHEMBL11310923 0.80 MAPT (0.48) KMT2AMEN1MAPK1NPSR1MAPT
SCHEMBL2432378 0.79 KMT2A (0.51) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL2432376 0.79 KMT2A (0.51) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL8694090 0.79 MEN1 (0.44) KMT2AMEN1LMNAMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013103738-A1 NAPTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-07-11 WO disclosed
EP-2588450-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed