SCHEMBL31047682

SCHEMBL31047682

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.51
TNKS O95271 6/20 0.51
TNKS2 Q9H2K2 6/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
PARP1 P09874 6/20 0.43
PARP2 Q9UGN5 3/20 0.43
PTGS2 P35354 2/20 0.42
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
KMT2A Q03164 2/20 0.41
PARP15 Q460N3 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL31047669 0.89 SERPINE1 (0.65) SERPINE1TNKSTNKS2CYP1A1CYP1B1
SCHEMBL31047681 0.88 SERPINE1 (0.50) SERPINE1TNKSTNKS2CYP1A1CYP1B1
SCHEMBL31047696 0.86 SERPINE1 (0.69) SERPINE1TNKSTNKS2CYP1A1CYP1B1
SCHEMBL31047695 0.86 PARP1 (0.49) SERPINE1TNKSTNKS2NPC1RAB9A
SCHEMBL31047685 0.86 SERPINE1 (0.69) SERPINE1TNKSTNKS2PARP1PARP2
SCHEMBL29031838 0.84 PTGS2 (0.55) SERPINE1TNKSTNKS2CYP1A1CYP1B1
SCHEMBL30472337 0.84 PTGS2 (0.55) SERPINE1TNKSTNKS2CYP1A1CYP1B1
SCHEMBL31047675 0.82 SERPINE1 (0.49) SERPINE1TNKSTNKS2CYP1A1CYP1B1
SCHEMBL31047683 0.82 TNKS (0.52) SERPINE1TNKSTNKS2CYP1A1CYP1B1
SCHEMBL31047693 0.82 SERPINE1 (0.45) SERPINE1TNKSTNKS2CYP1A1CYP1B1

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