SCHEMBL8618645

SCHEMBL8618645

CCCCC(COc1ccccc1-c1cc(C(=O)NC(=N)N)c2ccccc2n1)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
ATM Q13315 1/20 0.47
TACR3 P29371 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
PLA2G2A P14555 1/20 0.39

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
SCHEMBL8613962 0.85 KMT2A (0.55) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8614158 0.84 KMT2A (0.55) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8619512 0.83 KMT2A (0.54) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8620924 0.83 DHODH (0.53) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8619672 0.82 KMT2A (0.50) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8614059 0.82 KMT2A (0.56) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8614755 0.82 MEN1 (0.54) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8615050 0.82 KMT2A (0.66) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8619751 0.81 KMT2A (0.50) KMT2AMEN1ATMTACR3SMN1; SMN2
SCHEMBL8620364 0.80 MEN1 (0.52) KMT2AMEN1ATMTACR3SMN1; 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