SCHEMBL8619971

SCHEMBL8619971

Cc1ccccc1-c1cc(C(=O)NC(=N)N)c2c(OC(C)C(C)C)cccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HTT P42858 4/20 0.42
MAPT P10636 4/20 0.42
GPR55 Q9Y2T6 1/20 0.42
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
KDM4E B2RXH2 4/20 0.39
POLB P06746 3/20 0.38
LMNA P02545 3/20 0.37
GALR3 O60755 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP1A2 P05177 2/20 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
SCHEMBL8619909 0.88 TACR3 (0.46) TACR3ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL8617699 0.86 ALDH1A1 (0.40) TACR3ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL8620874 0.85 ALDH1A1 (0.47) TACR3ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL8615338 0.85 MEN1 (0.46) TACR3ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL8615485 0.85 TACR3 (0.41) TACR3ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL8616439 0.84 TACR3 (0.52) TACR3ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL8617862 0.83 ALDH1A1 (0.44) TACR3ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL8613229 0.83 TACR3 (0.44) TACR3ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL8618517 0.83 KMT2A (0.43) TACR3ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL8620855 0.82 ALDH1A1 (0.45) TACR3ALDH1A1HPGDSMN1; SMN2HTT

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