SCHEMBL8614838

SCHEMBL8614838

N=C(NC=O)Nc1cc(-c2ccccc2)nc2ccc(I)cc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
ACP1 P24666 2/20 0.39
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CYP3A4 P08684 1/20 0.38
NQO2 P16083 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PTGFR P43088 2/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL8619784 0.88 ACP1 (0.44) MEN1KMT2AGFERACP1ABCB1
SCHEMBL8615684 0.87 ESR1 (0.43) MEN1KMT2AGFERACP1ABCB1
SCHEMBL8617753 0.87 ACP1 (0.51) MEN1KMT2AGFERACP1ABCB1
SCHEMBL8613853 0.86 ALDH1A1 (0.52) MEN1KMT2AACP1ABCB1ABCC1
SCHEMBL8617521 0.86 TLR9 (0.41) MEN1KMT2AGFERACP1ABCB1
SCHEMBL8617812 0.86 MAPK1 (0.46) MEN1KMT2AACP1KDM4ELMNA
SCHEMBL8615496 0.86 DHODH (0.50) MEN1KMT2AGFERACP1ABCB1
SCHEMBL8620945 0.83 NQO2 (0.56) MEN1KMT2AACP1ABCB1ABCG2
SCHEMBL8613674 0.83 TRPV1 (0.43) MEN1KMT2AACP1ABCB1ABCC1
SCHEMBL8614060 0.83 DHODH (0.44) MEN1KMT2AACP1ABCB1ABCC1

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