SCHEMBL8616704

SCHEMBL8616704

CCCCC(C)Oc1ccc(-c2cc(C(=O)NC(=N)N)c3ccccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.55
PLA2G2A P14555 1/20 0.54
KMT2A Q03164 7/20 0.54
KDM4E B2RXH2 7/20 0.54
RAB9A P51151 6/20 0.54
NPC1 O15118 6/20 0.54
ALDH1A1 P00352 6/20 0.54
LMNA P02545 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALOX12 P18054 3/20 0.54
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
HTT P42858 3/20 0.54
HSP90AA1 P07900 1/20 0.54
TP53 P04637 1/20 0.52
MEN1 O00255 6/20 0.49
PDE10A Q9Y233 1/20 0.49
HPGD P15428 3/20 0.49
POLB P06746 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL8614837 0.86 TACR3 (0.60) TACR3PLA2G2AKMT2AKDM4ERAB9A
SCHEMBL8617937 0.84 PLA2G2A (0.58) TACR3PLA2G2AKMT2AKDM4ERAB9A
SCHEMBL8616485 0.82 LMNA (0.58) TACR3PLA2G2AKMT2AKDM4ERAB9A
SCHEMBL8620708 0.82 MEN1 (0.68) TACR3KMT2AKDM4ERAB9ANPC1
SCHEMBL8619442 0.81 LMNA (0.56) TACR3PLA2G2AKMT2AKDM4ERAB9A
SCHEMBL8617058 0.81 LMNA (0.57) TACR3PLA2G2AKMT2AKDM4ERAB9A
SCHEMBL8615344 0.80 PDE10A (0.64) PLA2G2AKMT2AKDM4ERAB9ANPC1
SCHEMBL8614865 0.80 KMT2A (0.49) TACR3KMT2AKDM4EALDH1A1LMNA
SCHEMBL8618946 0.80 DHODH (0.56) TACR3KMT2AKDM4ERAB9ANPC1
SCHEMBL8617743 0.79 CYP3A4 (0.65) TACR3KMT2AKDM4EALDH1A1LMNA

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