SCHEMBL8619784

SCHEMBL8619784

N=C(NC=O)Nc1cc(-c2ccc(I)cc2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.44
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
KMT2A Q03164 2/20 0.42
PDE10A Q9Y233 2/20 0.42
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MOK Q9UQ07 1/20 0.41
SLC2A1 P11166 1/20 0.41
DHODH Q02127 1/20 0.40

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
SCHEMBL8617753 0.92 ACP1 (0.51) ACP1ABCB1ABCC1ABCG2KMT2A
SCHEMBL8620932 0.89 POLB (0.51) ACP1ABCB1ABCC1ABCG2KMT2A
SCHEMBL8614008 0.88 ACP1 (0.50) ACP1ABCB1ABCC1ABCG2KMT2A
SCHEMBL8617549 0.88 ACP1 (0.49) ACP1ABCB1ABCC1ABCG2KMT2A
SCHEMBL8614838 0.88 MEN1 (0.40) ACP1ABCB1ABCC1ABCG2KMT2A
SCHEMBL8615248 0.88 ACP1 (0.44) ACP1ABCB1ABCC1ABCG2KMT2A
SCHEMBL8615355 0.88 PDE10A (0.55) ACP1ABCB1ABCC1ABCG2KMT2A
SCHEMBL8618150 0.86 KDM4E (0.48) ACP1KMT2APDE10AMEN1KDM4E
SCHEMBL8615808 0.85 KDM4E (0.50) ACP1ABCB1ABCC1ABCG2KMT2A
SCHEMBL8620711 0.85 ACP1 (0.60) ACP1KDM4E

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