SCHEMBL8617699

SCHEMBL8617699

CCCCC(C)Oc1cccc2nc(-c3ccccc3C)cc(C(=O)NC(=N)N)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
HPGD P15428 5/20 0.40
KDM4E B2RXH2 4/20 0.40
TACR3 P29371 4/20 0.39
HTT P42858 4/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GPR55 Q9Y2T6 1/20 0.39
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 2/20 0.35
GALR3 O60755 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
ATM Q13315 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL8617121 0.86 MEN1 (0.42) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8619971 0.86 TACR3 (0.42) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8618517 0.84 KMT2A (0.43) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8615338 0.84 MEN1 (0.46) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8619909 0.83 TACR3 (0.46) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8617961 0.83 TACR3 (0.40) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8620382 0.81 MEN1 (0.41) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8613229 0.81 TACR3 (0.44) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8620874 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL8615485 0.81 TACR3 (0.41) ALDH1A1MEN1KMT2AHPGDKDM4E

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