SCHEMBL8612684

SCHEMBL8612684

CC(=O)Nc1ccc2c(C(=O)NC(N)=Nc3ccccc3)ccnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
PABPC1 P11940 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
SMO Q99835 1/20 0.39
ADORA2A P29274 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SCNN1A P37088 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ACLY P53396 1/20 0.39
TGFBR1 P36897 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL8617772 0.92 RAB9A (0.41) CSF1RNPC1RAB9AKMT2AKDM4E
SCHEMBL8619419 0.89 SMO (0.38) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL8613484 0.86 RAB9A (0.43) NPC1RAB9AKDM4EPOLBSMN1; SMN2
SCHEMBL8617741 0.85 SCN2A (0.44) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL8615943 0.84 RAB9A (0.45) CSF1RNPC1RAB9AKMT2AKDM4E
SCHEMBL8615213 0.84 RAB9A (0.42) CSF1RNPC1RAB9AKMT2AKDM4E
SCHEMBL8619393 0.83 SMN1; SMN2 (0.46) NPC1RAB9AKMT2AKDM4EMAPT
SCHEMBL8618237 0.83 ALK (0.43) CSF1RNPC1RAB9AKMT2AKDM4E
SCHEMBL8616502 0.82 KDM4E (0.48) NPC1RAB9AKMT2AKDM4EMAPT
SCHEMBL8616316 0.81 SMN1; SMN2 (0.47) NPC1RAB9AKDM4EMAPTSMN1; SMN2

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