SCHEMBL8620186

SCHEMBL8620186

Cc1ccccc1-c1cc(C(=O)NC(=N)N)c2cccc(OC(C)(C)C(C)C)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.44
MEN1 O00255 7/20 0.44
TACR3 P29371 2/20 0.41
HPGD P15428 6/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HTT P42858 4/20 0.41
MAPT P10636 4/20 0.41
GPR55 Q9Y2T6 1/20 0.41
KDM4E B2RXH2 4/20 0.38
POLB P06746 3/20 0.37
PDE10A Q9Y233 1/20 0.37
LMNA P02545 2/20 0.36
GALR3 O60755 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL8613395 0.86 PDE10A (0.51) KMT2AMEN1TACR3HPGDALDH1A1
SCHEMBL8620012 0.84 MEN1 (0.42) KMT2AMEN1TACR3HPGDALDH1A1
SCHEMBL8617400 0.83 MEN1 (0.46) KMT2AMEN1TACR3HPGDALDH1A1
SCHEMBL8620382 0.82 MEN1 (0.41) KMT2AMEN1TACR3HPGDALDH1A1
SCHEMBL8615143 0.82 MEN1 (0.43) KMT2AMEN1TACR3HPGDALDH1A1
SCHEMBL8618896 0.82 TACR3 (0.41) KMT2AMEN1TACR3HPGDALDH1A1
SCHEMBL8617187 0.81 KMT2A (0.43) KMT2AMEN1TACR3HPGDALDH1A1
SCHEMBL8617983 0.81 TACR3 (0.41) KMT2AMEN1TACR3HPGDALDH1A1
SCHEMBL8616303 0.81 KMT2A (0.49) KMT2AMEN1TACR3HPGDALDH1A1
SCHEMBL8617848 0.80 MEN1 (0.42) KMT2AMEN1TACR3HPGDALDH1A1

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