SCHEMBL7722775

SCHEMBL7722775

C1=CC(c2cccs2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR6 P50406 1/20 0.33
HTR2A P28223 1/20 0.33
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 5/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SIGMAR1 Q99720 2/20 0.31
NOS2 P35228 2/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP1 P29466 2/20 0.30
HSD17B10 Q99714 2/20 0.30
NOS3 P29474 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL29455223 1.00 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3MAPTSMN1; SMN2
SCHEMBL6852405 0.83 MEN1 (0.44) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL8470298 0.71 HTR2A (0.36) SLC6A2SLC6A3HTR6HTR2AKDM4E
SCHEMBL29010951 0.70 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3MAPTSMN1; SMN2
SCHEMBL19630560 0.70 HTR2A (0.39) SLC6A2SLC6A3SMN1; SMN2HTR6HTR2A
SCHEMBL29386036 0.70 HTR2A (0.39) SLC6A2SLC6A3SMN1; SMN2HTR6HTR2A
SCHEMBL1028466 0.70 HTR2A (0.39) SLC6A2SLC6A3HTR6HTR2AKDM4E
SCHEMBL7205804 0.69 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3HTR2A
Ammonia Solution, Strong SCHEMBL21245914 0.68 HTR2A (0.38) SLC6A2SLC6A3HTR6HTR2AKDM4E
Methane SCHEMBL28813011 0.68 HTR2A (0.38) SLC6A2SLC6A3HTR6HTR2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479646-B1 Metallocene compounds having indenyl ligand and catalysts for olefin polymerization containing the same CHISSO CORPORATION (JP) 2002-11-12 US disclosed