SCHEMBL8617853

SCHEMBL8617853

COc1cc2c(NC(=N)NC=O)cc(-c3ccccc3C)nc2c(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
ADORA3 P0DMS8 4/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
THRB P10828 1/20 0.35
ADORA1 P30542 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
DNMT1 P26358 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
ACP1 P24666 1/20 0.33
C5AR1 P21730 1/20 0.33
PDE5A O76074 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL8619965 0.90 ADORA3 (0.37) KDM4EUSP2POLBADORA3ADORA2A
SCHEMBL8619745 0.88 CYP1A2 (0.34) KDM4EUSP2POLBADORA3ADORA2A
SCHEMBL8618911 0.87 C5AR1 (0.34) KDM4EUSP2POLBADORA3ADORA2A
SCHEMBL8613198 0.87 PDE10A (0.41) KDM4EUSP2POLBKMT2AMEN1
SCHEMBL8616647 0.86 KDM4E (0.38) KDM4EUSP2POLBADORA3ADORA2A
SCHEMBL8615214 0.86 PDE2A (0.38) KDM4EPOLBADORA3ADORA1KMT2A
SCHEMBL8618493 0.86 KDM4E (0.38) KDM4EUSP2POLBADORA3ADORA2A
SCHEMBL8613210 0.86 KDM4E (0.38) KDM4EUSP2POLBADORA3ADORA2A
SCHEMBL8613400 0.86 GFER (0.41) KDM4EPOLBKMT2AMEN1LMNA
SCHEMBL8619697 0.85 POLB (0.33) KDM4EUSP2POLBADORA3ADORA2A

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-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed