SCHEMBL7487012

SCHEMBL7487012

COC(=O)c1c(C=O)c(C)c(C)n1CCCF

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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 0.92 MEN1 (0.36) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7475018 0.83 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL7474346 0.79 NPC1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL7477896 0.79 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL7478235 0.78 ADORA2B (0.31) MEN1KMT2A
SCHEMBL7482378 0.77 ALDH1A1 (0.37) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7478767 0.76 MAOB (0.34) KDM4EALDH1A1
SCHEMBL7478519 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7478089 0.76 KDM4E (0.32) KDM4EALDH1A1HPGD
SCHEMBL7476327 0.76 ALDH1A1 (0.30) ALDH1A1

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