SCHEMBL8614043

SCHEMBL8614043

CCC(C)(C)Oc1ccccc1-c1cc(C(=O)NC(=N)N)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
ATM Q13315 1/20 0.50
TACR3 P29371 2/20 0.47
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL8614755 0.86 MEN1 (0.54) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8615050 0.86 KMT2A (0.66) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8613377 0.86 TACR3 (0.48) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8617742 0.85 TACR3 (0.63) KMT2AMEN1TACR3KDM4EALDH1A1
SCHEMBL8614059 0.84 KMT2A (0.56) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8613962 0.83 KMT2A (0.55) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8616367 0.83 MEN1 (0.46) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8617527 0.83 KMT2A (0.50) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8614158 0.83 KMT2A (0.55) KMT2AMEN1ATMTACR3KDM4E
SCHEMBL8618106 0.82 KMT2A (0.54) KMT2AMEN1ATMTACR3KDM4E

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 2 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
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