SCHEMBL31047683

SCHEMBL31047683

CC(C)(C)c1ccc(-c2[nH]c(=O)c3ccccc3c2Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 7/20 0.52
TNKS2 Q9H2K2 7/20 0.52
SERPINE1 P05121 4/20 0.45
PARP1 P09874 4/20 0.41
BRD4 O60885 1/20 0.41
BDKRB1 P46663 1/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
CNR1 P21554 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KIF11 P52732 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
WNT3A P56704 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
METAP2 P50579 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 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
SCHEMBL31047695 0.83 PARP1 (0.49) TNKSTNKS2SERPINE1PARP1
SCHEMBL31047682 0.82 SERPINE1 (0.51) TNKSTNKS2SERPINE1PARP1MEN1
SCHEMBL31047669 0.82 SERPINE1 (0.65) TNKSTNKS2SERPINE1PARP1MEN1
SCHEMBL31047681 0.81 SERPINE1 (0.50) TNKSTNKS2SERPINE1PARP1MEN1
SCHEMBL31047685 0.80 SERPINE1 (0.69) TNKSTNKS2SERPINE1PARP1MEN1
SCHEMBL31047696 0.80 SERPINE1 (0.69) TNKSTNKS2SERPINE1PARP1MEN1
SCHEMBL31047693 0.76 SERPINE1 (0.45) TNKSTNKS2SERPINE1PARP1MEN1
SCHEMBL31047675 0.76 SERPINE1 (0.49) TNKSTNKS2SERPINE1PARP1MEN1
SCHEMBL31047677 0.75 SERPINE1 (0.44) TNKSTNKS2SERPINE1PARP1MEN1
SCHEMBL31047686 0.74 PDE9A (0.44) TNKSTNKS2SERPINE1CYP1A1CYP1B1

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