SCHEMBL8617549

SCHEMBL8617549

N=C(NC=O)Nc1cc(-c2ccc(Br)cc2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
HSP90AA1 P07900 1/20 0.43
AGTR1 P30556 1/20 0.43
OPRK1 P41145 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
PDE10A Q9Y233 2/20 0.42
GAA P10253 1/20 0.42
MOK Q9UQ07 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
SCHEMBL8617753 0.92 ACP1 (0.51) ACP1KMT2AMEN1KDM4EABCB1
SCHEMBL8618234 0.90 RXFP1 (0.44) ACP1ABCB1ABCC1ABCG2LMNA
SCHEMBL8620932 0.89 POLB (0.51) ACP1KMT2AMEN1KDM4EABCB1
SCHEMBL8615248 0.88 ACP1 (0.44) ACP1KMT2AKDM4EABCB1ABCC1
SCHEMBL8614008 0.88 ACP1 (0.50) ACP1KMT2AMEN1KDM4EMAPT
SCHEMBL8619784 0.88 ACP1 (0.44) ACP1KMT2AMEN1KDM4EABCB1
SCHEMBL8615355 0.88 PDE10A (0.55) ACP1KMT2AMEN1KDM4EMAPT
SCHEMBL8618214 0.85 ACP1 (0.53) ACP1ABCB1ABCC1ABCG2PDE10A
SCHEMBL8615808 0.85 KDM4E (0.50) ACP1KMT2AKDM4EMAPTABCB1
SCHEMBL8620711 0.85 ACP1 (0.60) ACP1KDM4EMAPTLMNA

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