SCHEMBL31047685

SCHEMBL31047685

O=c1[nH]c(-c2ccc(F)cc2)c(Br)c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.69
TNKS O95271 5/20 0.49
TNKS2 Q9H2K2 4/20 0.49
PARP2 Q9UGN5 4/20 0.49
PARP1 P09874 5/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
MAPK14 Q16539 3/20 0.41
PARP3 Q9Y6F1 2/20 0.41
PTGS2 P35354 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
CDC25B P30305 1/20 0.40

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
SCHEMBL31047682 0.86 SERPINE1 (0.51) SERPINE1TNKSTNKS2PARP2PARP1
SCHEMBL31047669 0.86 SERPINE1 (0.65) SERPINE1TNKSTNKS2PARP1KDM4E
SCHEMBL31047681 0.85 SERPINE1 (0.50) SERPINE1TNKSTNKS2PARP1KDM4E
SCHEMBL31047696 0.83 SERPINE1 (0.69) SERPINE1TNKSTNKS2PARP2PARP1
SCHEMBL31047695 0.83 PARP1 (0.49) SERPINE1TNKSTNKS2PARP1CTSV
SCHEMBL31047692 0.83 SERPINE1 (0.51) SERPINE1TNKSTNKS2PARP2PARP1
SCHEMBL29639170 0.81 SERPINE1 (0.71) SERPINE1TNKSTNKS2PARP2PARP1
SCHEMBL29031884 0.81 SERPINE1 (0.71) SERPINE1TNKSTNKS2PARP2PARP1
SCHEMBL31047675 0.80 SERPINE1 (0.49) SERPINE1TNKSTNKS2PARP1MEN1
SCHEMBL31047683 0.80 TNKS (0.52) SERPINE1TNKSTNKS2PARP1KDM4E

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