SCHEMBL8619672

SCHEMBL8619672

CCCCCOC(C)COc1ccccc1-c1cc(C(=O)NC(=N)N)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
ATM Q13315 1/20 0.50
TACR3 P29371 4/20 0.45
MAPT P10636 5/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALOX12 P18054 2/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 3/20 0.42
PLA2G2A P14555 1/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8618686 0.92 KMT2A (0.49) KMT2AMEN1ATMTACR3MAPT
SCHEMBL8614158 0.91 KMT2A (0.55) KMT2AMEN1ATMTACR3MAPT
SCHEMBL8619751 0.90 KMT2A (0.50) KMT2AMEN1ATMTACR3MAPT
SCHEMBL8619512 0.90 KMT2A (0.54) KMT2AMEN1ATMTACR3MAPT
SCHEMBL8613962 0.88 KMT2A (0.55) KMT2AMEN1ATMTACR3MAPT
SCHEMBL8620364 0.86 MEN1 (0.52) KMT2AMEN1ATMTACR3MAPT
SCHEMBL8620924 0.86 DHODH (0.53) KMT2AMEN1ATMTACR3MAPT
SCHEMBL8614059 0.85 KMT2A (0.56) KMT2AMEN1ATMTACR3MAPT
SCHEMBL8615050 0.83 KMT2A (0.66) KMT2AMEN1ATMTACR3MAPT
SCHEMBL8618645 0.82 KMT2A (0.47) KMT2AMEN1ATMTACR3MAPT

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