SCHEMBL28074589

SCHEMBL28074589

O=COCc1cc(Cl)ncc1Cl

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL28074564 0.86 SRC (0.32) SRCMEN1ALDH1A1MAPTKMT2A
SCHEMBL29208496 0.76 SRC (0.31) SRCMEN1ALDH1A1MAPTKMT2A
SCHEMBL24487924 0.76 LMNA (0.38) MEN1ALDH1A1MAPTKMT2A
SCHEMBL16545839 0.74 SRC (0.33) SRCMAPT
Ethoxycarbonyl Group SCHEMBL28113137 0.74 DGAT1 (0.33) MEN1ALDH1A1MAPTKMT2A
SCHEMBL28134125 0.73 TDP1 (0.36) SRC
SCHEMBL13990810 0.72 GRIN2D (0.39) MEN1ALDH1A1MAPTKMT2A
SCHEMBL28809315 0.72 — —
SCHEMBL19794989 0.72 ALDH1A1 (0.33) MEN1ALDH1A1MAPTKMT2A
SCHEMBL11308859 0.70 IDO1 (0.40) SRCMEN1ALDH1A1MAPTKMT2A

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-105612153-A Substituted sulfonamide compounds as TRPA1 conditioner HOFFMANN LA ROCHE 2016-05-25 — — CN disclosed
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