SCHEMBL8617830

SCHEMBL8617830

N=C(NC=O)Nc1cc(-c2cccc(OC3CCCCC3)c2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 14/20 0.46
ALDH1A1 P00352 2/20 0.38
ABCB1 P08183 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
ABCC1 P33527 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
KLKB1 P03952 1/20 0.37
PRSS1 P07477 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 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
SCHEMBL8614778 0.95 ACP1 (0.43) ACP1ALDH1A1ABCB1ABCG2ABCC1
SCHEMBL8617199 0.88 ACP1 (0.43) ACP1ALDH1A1ABCB1ABCG2MEN1
SCHEMBL8618001 0.84 DHODH (0.46) ACP1ALDH1A1ABCB1ABCG2ABCC1
SCHEMBL8614857 0.84 ABCB1 (0.55) ACP1ALDH1A1ABCB1ABCG2MEN1
SCHEMBL8614769 0.82 DHODH (0.45) ACP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8620868 0.82 ACP1 (0.42) ACP1MEN1KMT2AF2PLG
SCHEMBL8617119 0.81 ABCB1 (0.45) ACP1ALDH1A1ABCB1ABCG2ABCC1
SCHEMBL8617796 0.81 ACP1 (0.51) ACP1ALDH1A1ABCB1ABCG2ABCC1
SCHEMBL8614315 0.81 KMT2A (0.49) ACP1ALDH1A1ABCB1ABCG2ABCC1
SCHEMBL8617753 0.81 ACP1 (0.51) ACP1ABCB1ABCG2ABCC1MEN1

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