SCHEMBL8613384

SCHEMBL8613384

CCOc1ccc2c(C(=O)NC(=N)N)cc(-c3ccccc3C)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 6/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
LMNA P02545 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
TP53 P04637 4/20 0.48
TACR3 P29371 2/20 0.48
RAB9A P51151 4/20 0.45
HTT P42858 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
ALOX12 P18054 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
KLF5 Q13887 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL8615492 0.92 CA2 (0.53) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8613986 0.91 TACR3 (0.48) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8615849 0.90 TACR3 (0.48) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8615568 0.90 TACR3 (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8617678 0.89 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8615218 0.89 TACR3 (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8619345 0.89 CA2 (0.55) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8616574 0.88 TACR3 (0.45) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8614007 0.87 LMNA (0.57) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8615509 0.87 TACR3 (0.44) KDM4EALDH1A1HPGDMEN1KMT2A

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