SCHEMBL8612641

SCHEMBL8612641

Cc1ccccc1-c1cc(C(=O)NC(=N)N)c2c(O)ccc(O)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.38
TACR3 P29371 1/20 0.37
SMYD2 Q9NRG4 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
POLB P06746 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
MCL1 Q07820 1/20 0.36
MAP4K2 Q12851 1/20 0.36

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
SCHEMBL8620855 0.86 ALDH1A1 (0.45) HPGDALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL8616303 0.86 KMT2A (0.49) HPGDALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL8620289 0.85 ALDH1A1 (0.42) HPGDALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL8615223 0.85 KMT2A (0.44) HPGDALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL8619767 0.83 ALDH1A1 (0.43) HPGDALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL8619396 0.83 KMT2A (0.43) HPGDALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL8620874 0.82 ALDH1A1 (0.47) HPGDALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL8619166 0.82 TACR3 (0.40) HPGDALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL8619690 0.82 TACR3 (0.40) HPGDALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL8615841 0.81 TACR3 (0.39) HPGDALDH1A1SMN1; SMN2HTTMAPT

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