SCHEMBL6969782

SCHEMBL6969782

O=[N+]([O-])c1ccc(Sc2cccc3cnccc23)nc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
TDP1 Q9NUW8 4/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 8/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 2/20 0.45
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.41
PSMD14 O00487 1/20 0.41
PDE7A Q13946 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
SCHEMBL6963693 0.83 MAPT (0.60) LMNATDP1KMT2AKDM4ESMN1; SMN2
SCHEMBL6961993 0.78 MAPT (0.43) LMNATDP1KMT2AKDM4ESMN1; SMN2
SCHEMBL6973656 0.78 PDE7A (0.60) LMNATDP1KMT2ASMN1; SMN2MAPT
SCHEMBL3506729 0.74 KDM4E (0.77) LMNATDP1KMT2AKDM4ESMN1; SMN2
SCHEMBL6968741 0.74 KDM4E (0.57) LMNAKMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL6962478 0.74 AGTR1 (0.53) LMNAKMT2AKDM4ESMN1; SMN2RAB9A
SCHEMBL25199024 0.73 LMNA (1.00) LMNATDP1KMT2AKDM4ESMN1; SMN2
SCHEMBL6973592 0.73 LMNA (0.44) LMNATDP1KMT2AKDM4ESMN1; SMN2
SCHEMBL6970234 0.73 MAPT (0.46) LMNATDP1KMT2AKDM4ESMN1; SMN2
SCHEMBL6966448 0.72 LMNA (0.53) LMNAKMT2AKDM4ESMN1; SMN2MAPT

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-0855391-B1 NOVEL ISOQUINOLINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-10-15 EP disclosed
US-5959107-A Isoquinoline derivatives SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1999-09-28 US disclosed
EP-0855391-A1 NOVEL ISOQUINOLINE DERIVATIVES SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1998-07-29 EP disclosed