SCHEMBL8617836

SCHEMBL8617836

CCCC(C)(C)Oc1cccc(-c2cc(C(=O)NC(=N)N)c3ccccc3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 6/20 0.58
LMNA P02545 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
GAA P10253 2/20 0.58
HTT P42858 2/20 0.58
DHODH Q02127 1/20 0.52
KMT2A Q03164 10/20 0.50
MEN1 O00255 9/20 0.50
TDP1 Q9NUW8 5/20 0.50
MAPT P10636 4/20 0.50
ALOX12 P18054 3/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 2/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49
TP53 P04637 1/20 0.49
AGTR1 P30556 1/20 0.47
OPRK1 P41145 1/20 0.47

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
SCHEMBL8617116 0.89 ALDH1A1 (0.56) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8615217 0.86 TACR3 (0.53) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8614077 0.85 KDM4E (0.53) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8617790 0.85 KDM4E (0.54) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8614851 0.84 MEN1 (0.67) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8614950 0.83 KMT2A (0.54) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8614314 0.82 KMT2A (0.65) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8618610 0.82 LMNA (0.63) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8614161 0.81 LMNA (0.61) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL8612612 0.81 ALDH1A1 (0.44) KDM4EALDH1A1LMNASMN1; SMN2GAA

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