SCHEMBL29831724

SCHEMBL29831724

O=c1[nH]c(=S)n(-c2c(F)cccc2F)c2ccsc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.44
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 2/20 0.39
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRIK1 P39086 1/20 0.34
GRIA1 P42261 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL291107 0.78 PDE7A (0.50) PDE7AALDH1A1HSD17B10KDM4ESMN1; SMN2
SCHEMBL5435635 0.71 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL29408522 0.71 PDE7A (0.48) PDE7AALDH1A1MAPTMEN1KMT2A
SCHEMBL32681347 0.70 PDE7A (0.45) PDE7AALDH1A1MAPTMEN1KMT2A
SCHEMBL2048115 0.66 GRIK1 (0.50) ALDH1A1MEN1KMT2AKDM4EGRIK1
SCHEMBL30837926 0.64 PDE7A (0.73) PDE7AALDH1A1MEN1KMT2AKDM4E
SCHEMBL843239 0.64 PDE7A (0.73) PDE7AALDH1A1MEN1KMT2AKDM4E
SCHEMBL31177912 0.63 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL30273112 0.63 KDM4E (0.54) KDM4EFEN1
SCHEMBL30641970 0.62 GRIK1 (0.46) ALDH1A1MAPTMEN1KMT2APKM

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
CN-115192711-A Use of PDE7 inhibitors for the treatment of movement disorders 奥默罗斯公司 2022-10-18 CN disclosed
CN-114984229-A Treatment of addiction and impulse control disorders using PDE7 inhibitors 奥默罗斯公司 2022-09-02 CN disclosed