SCHEMBL28801877

SCHEMBL28801877

O=C(O)OC(=O)c1cc(Br)nn1-c1ncccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.39
TRPA1 O75762 4/20 0.35
MALT1 Q9UDY8 3/20 0.35
HIF1A Q16665 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
RBP4 P02753 1/20 0.32

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
SCHEMBL15289958 0.88 DHODH (0.42) DHODHTRPA1MALT1HIF1ATRPV1
SCHEMBL23249321 0.86 DHODH (0.45) DHODHMALT1RBP4
SCHEMBL29504162 0.86 DHODH (0.45) DHODHMALT1RBP4
SCHEMBL29361008 0.86 DHODH (0.41) DHODHTRPA1MALT1
SCHEMBL535475 0.86 DHODH (0.41) DHODHTRPA1MALT1
SCHEMBL591320 0.86 TRPA1 (0.41) DHODHTRPA1MALT1TRPV1
Hydrochloric Acid SCHEMBL23754596 0.85 DHODH (0.41) DHODHTRPA1MALT1
SCHEMBL23249646 0.85 DHODH (0.41) DHODHTRPA1MALT1
SCHEMBL28824117 0.84 DHODH (0.39) DHODHTRPA1MALT1TRPV1
SCHEMBL1762554 0.83 ALDH1A1 (0.47) DHODH

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
CN-114801375-A Insect-proof heat-insulation fabric and preparation method thereof 盛建浩 2022-07-29 CN disclosed