SCHEMBL18079701

SCHEMBL18079701

Cc1cccc(C)c1CSc1ccc(-c2ccccn2)nn1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.76
SMN1; SMN2 Q16637 7/20 0.66
RAB9A P51151 6/20 0.66
KDM4E B2RXH2 6/20 0.66
NPC1 O15118 5/20 0.66
HTT P42858 5/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 3/20 0.66
MEN1 O00255 2/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
LMNA P02545 2/20 0.60
GAA P10253 2/20 0.60
RXFP1 Q9HBX9 1/20 0.52
POLB P06746 5/20 0.51
TP53 P04637 2/20 0.51
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL18079718 0.89 SLC1A2 (0.68) SLC1A2SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL30674412 0.86 SLC1A2 (1.00) SLC1A2SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL14685055 0.86 SLC1A2 (1.00) SLC1A2SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL16155555 0.83 RAB9A (0.66) SLC1A2SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL18079709 0.83 RAB9A (0.67) SLC1A2SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL18079713 0.83 SLC1A2 (0.79) SLC1A2SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL18079715 0.82 SLC1A2 (0.62) SLC1A2SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL18079712 0.80 SMN1; SMN2 (0.73) SLC1A2SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL18079730 0.80 RAB9A (0.73) SLC1A2SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL18079703 0.80 RAB9A (1.00) SLC1A2SMN1; SMN2RAB9AKDM4ENPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447075-B2 Pyridazine derivatives as EAAT2 activators THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-09-20 US disclosed
US-9447075-B2 Pyridazine derivatives as EAAT2 activators THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-09-20 US disclosed