SCHEMBL8617847

SCHEMBL8617847

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
THRB P10828 1/20 0.39
KDM4E B2RXH2 5/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 3/20 0.39
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8619962 0.90 TACR3 (0.42) TACR3KMT2AMEN1CA12CA1
SCHEMBL8619742 0.88 TACR3 (0.43) TACR3KMT2AMEN1CA12CA1
SCHEMBL8618908 0.87 MAPT (0.44) TACR3KMT2AMEN1CA12CA1
SCHEMBL8613185 0.87 PDE10A (0.49) TACR3KMT2AMEN1ALDH1A1HPGD
SCHEMBL8619729 0.87 CA2 (0.43) TACR3KMT2AMEN1CA12CA1
SCHEMBL8615211 0.86 CA2 (0.47) TACR3KMT2AMEN1CA12CA1
SCHEMBL8616639 0.86 THRB (0.39) TACR3KMT2AMEN1CA12CA1
SCHEMBL8618478 0.86 THRB (0.39) TACR3KMT2AMEN1CA12CA1
SCHEMBL8613395 0.86 PDE10A (0.51) TACR3KMT2AMEN1CA12CA1
SCHEMBL8619690 0.85 TACR3 (0.40) TACR3KMT2AMEN1CA12CA1

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