SCHEMBL31047677

SCHEMBL31047677

Cc1cc(C)cc(-c2[nH]c(=O)c3ccccc3c2Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
BRD7 Q9NPI1 1/20 0.40
PARP1 P09874 8/20 0.39
CASP6 P55212 2/20 0.39
CASP7 P55210 1/20 0.39
CASP8 Q14790 1/20 0.39
TNKS O95271 3/20 0.38
TNKS2 Q9H2K2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
GPR3 P46089 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
SCHEMBL31047688 0.88 NPC1 (0.52) SERPINE1NPC1RAB9AKDM4EGAA
SCHEMBL31047695 0.85 PARP1 (0.49) SERPINE1NPC1RAB9AMAPTPARP1
SCHEMBL31047669 0.81 SERPINE1 (0.65) SERPINE1KDM4EGAAMEN1KMT2A
SCHEMBL31047685 0.79 SERPINE1 (0.69) SERPINE1KDM4EGAAMEN1KMT2A
SCHEMBL31047672 0.78 SERPINE1 (0.49) SERPINE1NPC1RAB9AKDM4EMEN1
SCHEMBL31047682 0.78 SERPINE1 (0.51) SERPINE1NPC1RAB9AKDM4EMEN1
SCHEMBL31047681 0.77 SERPINE1 (0.50) SERPINE1KDM4EGAAMEN1KMT2A
SCHEMBL31047686 0.76 PDE9A (0.44) SERPINE1KDM4EGAATNKSTNKS2
SCHEMBL31047696 0.75 SERPINE1 (0.69) SERPINE1NPC1RAB9AKDM4EMEN1
SCHEMBL31047683 0.75 TNKS (0.52) SERPINE1KDM4EMEN1KMT2APARP1

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