SCHEMBL27420449

SCHEMBL27420449

COC(=O)c1cc(Cl)ccc1NC[SH](=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.49
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ NR4A2 P43354 2/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ GLA P06280 2/20 0.42
▸ KCNMA1 Q12791 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL27720029 0.81 LMNA (0.44) KMT2AKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL14605600 0.80 ABL1 (0.53) ABL1MEN1KMT2ARXFP1KDM4E
SCHEMBL27331812 0.79 ABL1 (0.53) ABL1MEN1KMT2ARXFP1KDM4E
SCHEMBL5928677 0.78 KDM4E (0.71) ABL1MEN1KMT2ARXFP1KDM4E
SCHEMBL27605356 0.78 KDM4E (0.64) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL15635249 0.78 ABL1 (0.48) ABL1MEN1KMT2ARXFP1KDM4E
SCHEMBL4358899 0.78 KDM4E (0.67) ABL1MEN1KMT2ARXFP1KDM4E
SCHEMBL417874 0.78 RXFP1 (0.54) ABL1MEN1KMT2ARXFP1KDM4E
SCHEMBL3810776 0.77 HTR6 (0.60) ABL1MEN1KMT2ARXFP1KDM4E
SCHEMBL9194517 0.77 ABL1 (0.47) ABL1KDM4EGLA

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-1100261-A Herbicides RHONE POULENC AGRICULTURE (GB) 1995-03-22 — — CN disclosed
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