SCHEMBL8616283

SCHEMBL8616283

CCc1ccccc1-c1cc(C(=O)NC(=N)N)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 2/20 0.48
TACR3 P29371 5/20 0.48
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TACR2 P21452 2/20 0.46

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
SCHEMBL8613257 0.92 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8614299 0.91 DHODH (0.48) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8618646 0.90 KDM4E (0.48) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8616008 0.89 DHODH (0.47) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8614067 0.89 HTT (0.47) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8616653 0.89 KDM4E (0.50) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8620889 0.86 HTT (0.61) MEN1KMT2AALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL8619430 0.85 HTT (0.60) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8615050 0.85 KMT2A (0.66) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8617803 0.85 MEN1 (0.52) MEN1KMT2AALDH1A1HPGDKDM4E

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