SCHEMBL7479670

SCHEMBL7479670

COC(=O)c1c(C=O)c(C)c(C)n1CCF

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 3/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
F10 P00742 1/20 0.31
HTR3A P46098 1/20 0.31
HTT P42858 2/20 0.30
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

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
SCHEMBL7487012 0.92 KDM4E (0.37) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL7475018 0.85 KDM4E (0.32) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL7474346 0.81 NPC1 (0.32) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7477896 0.81 MEN1 (0.33) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7478235 0.80 ADORA2B (0.31) MEN1KMT2A
SCHEMBL7482378 0.79 ALDH1A1 (0.37) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL7478089 0.78 KDM4E (0.32) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL7476327 0.78 ALDH1A1 (0.30) ALDH1A1LMNAMAPTNPSR1
SCHEMBL7478519 0.78 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL7480607 0.78 ALDH1A1 (0.31) ALDH1A1POLBRAB9A

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