SCHEMBL28990108

SCHEMBL28990108

CCOC(=O)C(N=C=S)N=[N+]=[N-]

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PIN1 Q13526 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
SCHEMBL28544621 0.83 ALDH1A1 (0.40) TRPA1ALDH1A1HPGDLMNAHSD17B10
SCHEMBL7001944 0.74 TRPA1 (0.40) TRPA1TRPV1ALDH1A1HPGDLMNA
SCHEMBL1457221 0.72 TRPA1 (0.41) TRPA1TRPV1ALDH1A1HPGDLMNA
SCHEMBL28601742 0.71 ALDH1A1 (0.40) TRPA1ALDH1A1HPGDLMNAHSD17B10
SCHEMBL20769881 0.70 ALDH1A1 (0.39) TRPA1ALDH1A1HPGDLMNAHSD17B10
SCHEMBL25910114 0.68 ALDH1A1 (0.37) TRPA1ALDH1A1HPGDLMNAHSD17B10
SCHEMBL32689467 0.68 ALDH1A1 (0.37) TRPA1ALDH1A1HPGDLMNAHSD17B10
SCHEMBL29260258 0.68 ALDH1A1 (0.37) TRPA1ALDH1A1HPGDLMNAHSD17B10
SCHEMBL14491878 0.67 ALDH1A1 (0.36) TRPA1ALDH1A1HPGDLMNAHSD17B10
SCHEMBL15177209 0.66 ALDH1A1 (0.34) TRPA1ALDH1A1LMNAHSD17B10

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
CN-115852682-A Recyclable heat-stable carbon nanofiber and preparation method thereof 汪雪梅 2023-03-28 CN claimed
CN-115852682-A Recyclable heat-stable carbon nanofiber and preparation method thereof 汪雪梅 2023-03-28 CN disclosed
CN-115852682-A Recyclable heat-stable carbon nanofiber and preparation method thereof 汪雪梅 2023-03-28 CN disclosed