SCHEMBL8617800

SCHEMBL8617800

N=C(N)NC(=O)c1cc(-c2ccccc2OC2CCC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ATM Q13315 1/20 0.44
DHODH Q02127 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
HPGD P15428 3/20 0.41
POLB P06746 1/20 0.41
KLK7 P49862 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL8620865 0.98 TACR3 (0.46) TACR3MEN1KMT2AATMDHODH
SCHEMBL8617742 0.83 TACR3 (0.63) TACR3MEN1KMT2ADHODHKDM4E
SCHEMBL8612632 0.83 MEN1 (0.46) TACR3MEN1KMT2ADHODHKDM4E
SCHEMBL8613389 0.81 DHODH (0.47) TACR3MEN1KMT2ADHODHKDM4E
SCHEMBL8613377 0.81 TACR3 (0.48) TACR3MEN1KMT2AATMKDM4E
SCHEMBL8618730 0.81 SMN1; SMN2 (0.56) TACR3MEN1KMT2AATMKDM4E
SCHEMBL8615050 0.81 KMT2A (0.66) TACR3MEN1KMT2AATMKDM4E
SCHEMBL8614070 0.81 CA2 (0.50) TACR3MEN1KMT2AKDM4EALDH1A1
SCHEMBL8619731 0.81 MEN1 (0.41) TACR3MEN1KMT2AKDM4EALDH1A1
SCHEMBL8617827 0.80 ALDH1A1 (0.51) TACR3MEN1KMT2ADHODHKDM4E

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