SCHEMBL8617544

SCHEMBL8617544

N=C(N)NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 5/20 0.59
LMNA P02545 3/20 0.59
MAPT P10636 3/20 0.56
HSP90AA1 P07900 1/20 0.56
AGTR1 P30556 1/20 0.56
OPRK1 P41145 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55
KCNH2 Q12809 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
TACR3 P29371 3/20 0.54
TP53 P04637 1/20 0.54
DHODH Q02127 1/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL8617743 0.91 CYP3A4 (0.65) MEN1KMT2AKDM4ELMNACYP3A4
Hydrochloric Acid SCHEMBL8620745 0.90 CYP3A4 (0.64) MEN1KMT2AKDM4ELMNACYP3A4
SCHEMBL8618231 0.89 RXFP1 (0.59) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL8615244 0.89 CYP3A4 (0.56) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL8620931 0.89 POLB (0.66) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL8614006 0.88 KDM4E (0.60) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL8619782 0.88 CYP3A4 (0.55) MEN1KMT2AKDM4ELMNAPOLB
SCHEMBL8615354 0.88 CYP3A4 (0.65) MEN1KMT2AKDM4EMAPTTDP1
Hydrochloric Acid SCHEMBL8618111 0.87 CYP3A4 (0.64) MEN1KMT2AKDM4EMAPTTDP1
Hydrochloric Acid SCHEMBL8620121 0.87 KDM4E (0.59) MEN1KMT2AKDM4ELMNAMAPT

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