SCHEMBL8788960

SCHEMBL8788960

C=CCOc1ccccc1NC(=O)Cc1ccccc1Cl.O=C(Cc1ccccc1Cl)Nc1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
KCNQ2 O43526 1/20 0.46
PARP14 Q460N5 1/20 0.43
BACE1 P56817 3/20 0.43
STAT3 P40763 1/20 0.43
P2RX4 Q99571 1/20 0.42
KCNJ5 P48544 2/20 0.42
KCNJ3 P48549 2/20 0.42

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
SCHEMBL7735222 0.94 TSHR (0.52) MAPTALDH1A1TSHRNPC1HPGD
SCHEMBL7724894 0.83 KCNJ5 (0.51) TSHRNPC1RAB9AMEN1KMT2A
SCHEMBL7724422 0.83 MAPT (0.62) MAPTALDH1A1TSHRNPC1HPGD
SCHEMBL20037048 0.75 POLB (0.59) MAPTALDH1A1TSHRNPC1HPGD
SCHEMBL10745183 0.72 POLB (0.55) MAPTALDH1A1TSHRHPGDPOLB
SCHEMBL30428722 0.71 BRD4 (0.61) MAPTALDH1A1TSHRNPC1HPGD
SCHEMBL10631908 0.71 BRD4 (0.61) MAPTALDH1A1TSHRNPC1HPGD
SCHEMBL7736629 0.71 MEN1 (0.70) HPGDL3MBTL1POLBMEN1KMT2A
SCHEMBL20037239 0.70 L3MBTL1 (0.51) MAPTALDH1A1TSHRNPC1RAB9A
SCHEMBL20037200 0.70 L3MBTL1 (0.48) MAPTALDH1A1TSHRL3MBTL1POLB

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
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed