SCHEMBL8616019

SCHEMBL8616019

CCC(C)(C)COc1ccc(-c2cc(C(=O)NC(=N)N)c3ccccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.55
RAB9A P51151 8/20 0.55
LMNA P02545 7/20 0.55
ALDH1A1 P00352 7/20 0.55
NPC1 O15118 6/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
HPGD P15428 3/20 0.55
KMT2A Q03164 9/20 0.55
MEN1 O00255 8/20 0.55
TP53 P04637 3/20 0.54
PDE10A Q9Y233 1/20 0.53
PLA2G2A P14555 1/20 0.53
ALOX12 P18054 3/20 0.52
POLB P06746 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KLF5 Q13887 1/20 0.52
TDP1 Q9NUW8 4/20 0.51
MAPT P10636 4/20 0.51

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
SCHEMBL8619214 0.86 KDM4E (0.52) KDM4ERAB9ALMNAALDH1A1NPC1
SCHEMBL8615344 0.83 PDE10A (0.64) KDM4ERAB9ALMNAALDH1A1NPC1
SCHEMBL8616485 0.83 LMNA (0.58) KDM4ERAB9ALMNAALDH1A1NPC1
SCHEMBL8620708 0.83 MEN1 (0.68) KDM4ERAB9ALMNAALDH1A1NPC1
SCHEMBL8617058 0.82 LMNA (0.57) KDM4ERAB9ALMNAALDH1A1NPC1
SCHEMBL8617937 0.81 PLA2G2A (0.58) KDM4ERAB9ALMNAALDH1A1NPC1
SCHEMBL8615804 0.81 KDM4E (0.64) KDM4ERAB9ALMNAALDH1A1NPC1
SCHEMBL8619442 0.81 LMNA (0.56) KDM4ERAB9ALMNAALDH1A1NPC1
SCHEMBL8617743 0.81 CYP3A4 (0.65) KDM4ELMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL8616671 0.81 TRPV1 (0.55) KDM4ERAB9AALDH1A1NPC1HPGD

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