SCHEMBL7283295

SCHEMBL7283295

C=Cn1nc(-c2ccccn2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
LMNA P02545 4/20 0.45
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
P4HTM Q9NXG6 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
TP53 P04637 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL31096506 0.75 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23202575 0.75 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5237083 0.71 ADORA2A (0.48) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL28666516 0.70 KDM4E (0.82) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL5573723 0.70 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL31553189 0.70 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL30804574 0.70 KDM4E (0.93) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23479878 0.69 KMT2A (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23479874 0.69 POLB (0.52) KDM4EPOLBTP53SMN1; SMN2ALDH1A1
SCHEMBL23479887 0.69 MET (0.43) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4599332-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1986-07-08 US disclosed
EP-0145450-A2 6- [2-[4-(1H-imidazol-1-yl)phenyl]-alkylene and alkylenyl]-3(2H)-pyridazinones, the 4,5-dihydro- pyridazinone derivatives thereof, and a process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1985-06-19 EP disclosed