SCHEMBL8613359

SCHEMBL8613359

N=C(N)NC(=O)c1cc(-c2ccccc2)nc2cccc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KCNH2 Q12809 2/20 0.46
HPGD P15428 1/20 0.46
CYP3A4 P08684 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
PDE10A Q9Y233 1/20 0.46
TACR3 P29371 5/20 0.46
PTGER4 P35408 1/20 0.45
DHODH Q02127 1/20 0.44
CYP1A2 P05177 2/20 0.43
ALOX12 P18054 2/20 0.43
CYP2C19 P33261 2/20 0.43
GFER P55789 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL8617715 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL8616258 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL8616592 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL8618932 0.87 PTGER4 (0.55) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL8620626 0.84 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL8617743 0.84 CYP3A4 (0.65) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL8614054 0.83 KMT2A (0.51) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL8620894 0.83 MAPT (0.48) MEN1KMT2AALDH1A1KDM4EKCNH2
Hydrochloric Acid SCHEMBL8620745 0.83 CYP3A4 (0.64) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL8615862 0.82 TACR3 (0.46) MEN1KMT2AALDH1A1KDM4EKCNH2

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