SCHEMBL8618896

SCHEMBL8618896

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.41
KMT2A Q03164 8/20 0.41
MEN1 O00255 7/20 0.41
ALDH1A1 P00352 7/20 0.39
HPGD P15428 5/20 0.39
HTT P42858 4/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
GPR55 Q9Y2T6 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ADORA2A P29274 1/20 0.36
POLB P06746 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
ACACA Q13085 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
GALR3 O60755 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 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
SCHEMBL8617400 0.87 MEN1 (0.46) TACR3KMT2AMEN1ALDH1A1HPGD
SCHEMBL8617983 0.86 TACR3 (0.41) TACR3KMT2AMEN1ALDH1A1HPGD
SCHEMBL8615143 0.85 MEN1 (0.43) TACR3KMT2AMEN1ALDH1A1HPGD
SCHEMBL8617187 0.84 KMT2A (0.43) TACR3KMT2AMEN1ALDH1A1HPGD
SCHEMBL8613395 0.84 PDE10A (0.51) TACR3KMT2AMEN1ALDH1A1HPGD
SCHEMBL8617848 0.83 MEN1 (0.42) TACR3KMT2AMEN1ALDH1A1HPGD
SCHEMBL8620012 0.83 MEN1 (0.42) TACR3KMT2AMEN1ALDH1A1HPGD
SCHEMBL8614068 0.82 MEN1 (0.40) TACR3KMT2AMEN1ALDH1A1HPGD
SCHEMBL8620382 0.82 MEN1 (0.41) TACR3KMT2AMEN1ALDH1A1HPGD
SCHEMBL8620186 0.82 KMT2A (0.44) TACR3KMT2AMEN1ALDH1A1HPGD

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