SCHEMBL11036301

SCHEMBL11036301

c1ccc(-c2nc(SSc3n[nH]c(-c4ccccc4)n3)n[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 13/20 1.00
DCUN1D2 Q6PH85 1/20 0.73
HPGD P15428 2/20 0.65
ALPL P05186 1/20 0.62
NR1H2 P55055 1/20 0.59
NR1H3 Q13133 1/20 0.59
GRK6 P43250 1/20 0.57
HTR7 P34969 1/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 1/20 0.57
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL11511782 0.80 DCUN1D1 (0.67) DCUN1D1HPGDALPLGRK6HTR7
SCHEMBL8671162 0.79 HPGD (1.00) DCUN1D1DCUN1D2HPGDALPLGRK6
SCHEMBL11509918 0.77 DCUN1D1 (0.60) DCUN1D1DCUN1D2HPGDALPLGRK6
SCHEMBL666693 0.74 NR1H2 (1.00) DCUN1D1HPGDALPLNR1H2NR1H3
SCHEMBL11509817 0.74 DCUN1D1 (0.56) DCUN1D1DCUN1D2HPGDALPLGRK6
Hydrochloric Acid SCHEMBL9097791 0.72 ALPL (0.57) DCUN1D1HPGDALPLGRK6HTR7
SCHEMBL8658056 0.72 ALPL (0.65) DCUN1D1HPGDALPLGRK6HTR7
SCHEMBL14027546 0.72 ROCK2 (0.68) DCUN1D1HPGDALPLNR1H2NR1H3
SCHEMBL11512529 0.72 ALPL (0.65) DCUN1D1HPGDALPLGRK6HTR7
SCHEMBL688527 0.72 NR1H2 (0.61) DCUN1D1HPGDALPLNR1H2NR1H3

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
JP-59164783-A None JP disclosed
JP-S59164783-A TRIAZOLE DISULFIDE DERIVATIVE AND ITS PREPARATION NIPPON SODA CO LTD 1984-09-17 JP disclosed