SCHEMBL28123403

SCHEMBL28123403

BrCc1cccc2[nH]c(-c3ccccc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.51
LMNA P02545 7/20 0.51
KDM4E B2RXH2 5/20 0.51
CTSV O60911 4/20 0.51
CTSL P07711 4/20 0.51
TP53 P04637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51

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
SCHEMBL28131836 0.83 HPGD (0.51) HPGDLMNAKDM4ECTSVCTSL
SCHEMBL9460269 0.83 HPGD (0.47) HPGDLMNAKDM4ECTSVCTSL
SCHEMBL28460210 0.77 HPGD (0.56) HPGDLMNAKDM4ECTSVCTSL
SCHEMBL11390054 0.76 HPGD (0.44) HPGDLMNAKDM4ECTSVCTSL
SCHEMBL11556879 0.75 HPGD (0.58) HPGDLMNAKDM4ECTSVCTSL
SCHEMBL4880212 0.74 HPGD (0.56) HPGDLMNAKDM4ECTSVCTSL
SCHEMBL4890491 0.74 HPGD (0.56) HPGDLMNAKDM4ECTSVCTSL
SCHEMBL1354245 0.74 PARP1 (0.63) HPGDLMNAKDM4ECTSVCTSL
SCHEMBL7964360 0.74 HPGD (0.56) HPGDLMNAKDM4ECTSVCTSL
SCHEMBL11659575 0.74 HPGD (0.56) HPGDLMNAKDM4ECTSVCTSL

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-106467521-A Two kinds of preparation methoies of one class bisbenzimidazole indole derivativeses 陈志龙 2017-03-01 CN disclosed