SCHEMBL8616653

SCHEMBL8616653

CCCCCCc1ccccc1-c1cc(C(=O)NC(=N)N)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
APOBEC3A P31941 1/20 0.50
ESR2 Q92731 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TACR3 P29371 3/20 0.48
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
DHODH Q02127 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
TLR8 Q9NR97 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL8618646 0.99 KDM4E (0.48) KDM4EHPGDALDH1A1HTTGLA
SCHEMBL8614299 0.96 DHODH (0.48) KDM4EHPGDALDH1A1HTTGLA
SCHEMBL8613257 0.92 MEN1 (0.50) KDM4EHPGDALDH1A1HTTGAA
SCHEMBL8616283 0.89 MEN1 (0.50) KDM4EHPGDALDH1A1HTTTACR3
SCHEMBL8619512 0.85 KMT2A (0.54) KDM4EHPGDALDH1A1HTTGLA
SCHEMBL8614158 0.83 KMT2A (0.55) KDM4EHPGDALDH1A1HTTGLA
SCHEMBL8616008 0.83 DHODH (0.47) KDM4EHPGDALDH1A1HTTGLA
SCHEMBL8614067 0.83 HTT (0.47) KDM4EHPGDALDH1A1HTTGAA
SCHEMBL8613962 0.82 KMT2A (0.55) KDM4EHPGDALDH1A1HTTGLA
SCHEMBL8615669 0.82 TACR3 (0.47) KDM4EALDH1A1HTTGAATACR3

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