SCHEMBL31047673

SCHEMBL31047673

O=c1[nH]c(-c2ccccc2)c(Br)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.45
TNKS O95271 2/20 0.43
WNT3A P56704 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP1 P09874 2/20 0.41
KIF11 P52732 3/20 0.41
BACE1 P56817 1/20 0.41
PGR P06401 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPBWR1 P48145 1/20 0.39
CNR1 P21554 1/20 0.38

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
SCHEMBL29639251 0.84 SERPINE1 (0.46) SERPINE1TNKSWNT3ATNKS2PARP1
SCHEMBL28738728 0.84 SERPINE1 (0.46) SERPINE1TNKSWNT3ATNKS2PARP1
SCHEMBL29639232 0.82 TNKS (0.44) SERPINE1TNKSWNT3ATNKS2PARP1
SCHEMBL31047692 0.81 SERPINE1 (0.51) SERPINE1TNKSTNKS2PARP1PARP2
SCHEMBL31047691 0.81 SERPINE1 (0.51) SERPINE1TNKSTNKS2PARP1KDM4E
SCHEMBL31047690 0.80 SERPINE1 (0.50) SERPINE1TNKSTNKS2PARP1KDM4E
SCHEMBL31047669 0.78 SERPINE1 (0.65) SERPINE1TNKSTNKS2PARP1KDM4E
SCHEMBL31047687 0.78 SERPINE1 (0.51) SERPINE1PARP1KDM4EMEN1KMT2A
SCHEMBL31047672 0.78 SERPINE1 (0.49) SERPINE1TNKSTNKS2PARP1KDM4E
SCHEMBL31047680 0.75 SERPINE1 (0.54) SERPINE1TNKSTNKS2PARP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118496146-A Preparation method of isoindoline diketone compound 五邑大学 2024-08-16 CN disclosed