SCHEMBL8196880

SCHEMBL8196880

C=C(O)c1nc2cc(Br)ccc2c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.44
▸ TOP2B Q02880 2/20 0.44
▸ MAPT P10636 3/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TNKS O95271 1/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 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
SCHEMBL13343607 0.86 KDM4E (0.46) TOP2ATOP2BMAPTRXFP1GAA
SCHEMBL31153423 0.86 KDM4E (0.46) TOP2ATOP2BMAPTRXFP1GAA
SCHEMBL8197422 0.82 TOP2A (0.44) TOP2ATOP2BMAPTTNKSTNKS2
SCHEMBL8187460 0.79 TOP2A (0.59) TOP2ATOP2BMAPTTNKSTNKS2
SCHEMBL1307660 0.78 NPSR1 (0.52) TOP2ATOP2BMAPTRXFP1GAA
SCHEMBL31153540 0.75 ALDH1A1 (0.52) MAPTGAAKDM4EHPGDHTT
SCHEMBL165225 0.75 ALDH1A1 (0.52) MAPTGAAKDM4EHPGDHTT
SCHEMBL13343587 0.75 RXFP1 (0.56) MAPTRXFP1GAANPSR1TUBB4A
SCHEMBL3226572 0.74 TYMS (0.63) MAPTGAANPSR1TNKSCYP1A1
SCHEMBL1029334 0.74 TYMS (0.63) MAPTRXFP1GAANPSR1TYMS

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
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 — — WO disclosed
Send feedback