SCHEMBL8613487

SCHEMBL8613487

Cc1cccc2c(NC(=N)NC=O)cc(-c3ccccc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
PLAUR Q03405 1/20 0.43
PTGER4 P35408 1/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 2/20 0.41
ACP1 P24666 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL8615997 0.87 CCR6 (0.45) ACP1ABCB1ABCC1ABCG2CYP3A4
SCHEMBL8619903 0.86 ACP1 (0.39) ACP1ABCB1ABCC1ABCG2MEN1
SCHEMBL8618767 0.86 MAPT (0.40) KDM4ELMNAPOLBACP1TRPV1
SCHEMBL8616699 0.86 ACP1 (0.39) KDM4EACP1ABCB1ABCC1ABCG2
SCHEMBL8617718 0.86 PDE10A (0.56) LMNAHTTPOLBTP53ACP1
SCHEMBL8618920 0.86 CYP2C9 (0.39) PTGER4ACP1ABCB1ABCC1ABCG2
SCHEMBL8618998 0.86 ABCB1 (0.47) KDM4EPOLBACP1ABCB1ABCC1
SCHEMBL8619728 0.85 KEAP1 (0.43) KDM4ELMNAHTTACP1ABCB1
SCHEMBL8617753 0.83 ACP1 (0.51) KDM4ELMNAACP1ABCB1ABCC1
SCHEMBL8620687 0.83 PDE10A (0.45) KDM4ELMNAPOLBTP53ACP1

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