SCHEMBL7475018

SCHEMBL7475018

COC(=O)c1c(C=O)c(C)c(C)n1CCBr

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
LMNA P02545 3/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
PTGES O14684 1/20 0.30
CYP3A4 P08684 1/20 0.30
PTPN1 P18031 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7479670 0.85 MEN1 (0.36) KDM4ELMNAALDH1A1MAPTNPSR1
SCHEMBL7487012 0.83 KDM4E (0.37) KDM4EALDH1A1
SCHEMBL7482378 0.79 ALDH1A1 (0.37) KDM4ELMNAALDH1A1MAPTNPSR1
SCHEMBL7478519 0.78 ALDH1A1 (0.33) LMNAALDH1A1MAPTNPSR1POLB
SCHEMBL7476327 0.78 ALDH1A1 (0.30) LMNAALDH1A1MAPTNPSR1
SCHEMBL7477896 0.78 MEN1 (0.33) LMNAALDH1A1MAPTNPSR1POLB
SCHEMBL7474346 0.78 NPC1 (0.32) LMNAALDH1A1MAPTNPSR1CYP3A4
SCHEMBL7478089 0.78 KDM4E (0.32) KDM4ELMNAALDH1A1MAPTNPSR1
SCHEMBL7478235 0.77 ADORA2B (0.31)
SCHEMBL7476209 0.77 NOTUM (0.38) LMNAALDH1A1MAPTNPSR1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742218-B1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO CO (JP) 2002-12-04 EP disclosed
US-6063782-A Pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2000-05-16 US disclosed
EP-0742218-A1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1996-11-13 EP disclosed