SCHEMBL8614008

SCHEMBL8614008

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 6/20 0.50
ABCG2 Q9UNQ0 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP19A1 P11511 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
PDE10A Q9Y233 2/20 0.42
DHODH Q02127 1/20 0.42
MOK Q9UQ07 1/20 0.41

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) ACP1ABCG2LMNAKDM4EKMT2A
SCHEMBL8620932 0.89 POLB (0.51) ACP1ABCG2KDM4EKMT2AMEN1
SCHEMBL8615255 0.89 ABCG2 (0.53) ACP1ABCG2ABCB1ABCC1
SCHEMBL8615496 0.88 DHODH (0.50) ACP1ABCG2KMT2AMEN1ABCB1
SCHEMBL8615355 0.88 PDE10A (0.55) ACP1ABCG2KDM4EKMT2AMEN1
SCHEMBL8615248 0.88 ACP1 (0.44) ACP1ABCG2KDM4EKMT2AABCB1
SCHEMBL8619784 0.88 ACP1 (0.44) ACP1ABCG2KDM4EKMT2AMEN1
SCHEMBL8617549 0.88 ACP1 (0.49) ACP1ABCG2LMNAKDM4EKMT2A
SCHEMBL8618214 0.88 ACP1 (0.53) ACP1ABCG2ABCB1ABCC1PDE10A
SCHEMBL8615808 0.85 KDM4E (0.50) ACP1ABCG2KDM4EKMT2AMAPT

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