SCHEMBL31047693

SCHEMBL31047693

N#Cc1ccc(-c2[nH]c(=O)c3ccccc3c2Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.45
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
IDO1 P14902 1/20 0.41
TNKS O95271 2/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
TDO2 P48775 1/20 0.38
HSD11B1 P28845 1/20 0.38
FASN P49327 1/20 0.37
MAPK13 O15264 1/20 0.37
RAF1 P04049 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
CA1 P00915 2/20 0.37

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
SCHEMBL31014306 0.83 SERPINE1 (0.46) SERPINE1PARP1PARP2IDO1TNKS
SCHEMBL31047682 0.82 SERPINE1 (0.51) SERPINE1PARP1PARP2TNKSMEN1
SCHEMBL31047669 0.82 SERPINE1 (0.65) SERPINE1PARP1TNKSMEN1KMT2A
SCHEMBL31047681 0.81 SERPINE1 (0.50) SERPINE1PARP1TNKSMEN1KMT2A
SCHEMBL31047695 0.80 PARP1 (0.49) SERPINE1PARP1TNKSPDE9ATNKS2
SCHEMBL31047696 0.80 SERPINE1 (0.69) SERPINE1PARP1PARP2TNKSMEN1
SCHEMBL31047685 0.80 SERPINE1 (0.69) SERPINE1PARP1PARP2TNKSMEN1
SCHEMBL31047675 0.76 SERPINE1 (0.49) SERPINE1PARP1TNKSMEN1KMT2A
SCHEMBL31047683 0.76 TNKS (0.52) SERPINE1PARP1TNKSMEN1KMT2A
SCHEMBL31047686 0.74 PDE9A (0.44) SERPINE1TNKSPDE9ACYP1A1CYP1B1

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