SCHEMBL8614161

SCHEMBL8614161

CCCC(C)COc1cccc(-c2cc(C(=O)NC(=N)N)c3ccccc3n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 4/20 0.61
GAA P10253 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HTT P42858 2/20 0.61
KMT2A Q03164 10/20 0.55
MEN1 O00255 8/20 0.55
DHODH Q02127 1/20 0.55
TDP1 Q9NUW8 5/20 0.53
MAPT P10636 3/20 0.53
ALOX12 P18054 2/20 0.53
RAB9A P51151 2/20 0.53
TACR3 P29371 2/20 0.50
AGTR1 P30556 1/20 0.50
OPRK1 P41145 1/20 0.50
HPGD P15428 1/20 0.49
TP53 P04637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 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
SCHEMBL8618625 0.87 ALDH1A1 (0.65) LMNAALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL8616980 0.85 KMT2A (0.58) LMNAALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL8619720 0.85 TACR3 (0.52) LMNAALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL8614314 0.84 KMT2A (0.65) LMNAALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL8618610 0.84 LMNA (0.63) LMNAALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL8616485 0.84 LMNA (0.58) LMNAALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL8614851 0.82 MEN1 (0.67) LMNAALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL8614950 0.81 KMT2A (0.54) LMNAALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL8617836 0.81 KDM4E (0.58) LMNAALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL8614077 0.80 KDM4E (0.53) LMNAALDH1A1KDM4EGAASMN1; SMN2

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