SCHEMBL8868709

SCHEMBL8868709

Clc1ccc2c(c1)N(Cl)CS2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B3 P37058 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
VHL P40337 1/20 0.37
ELOC Q15369 1/20 0.37
ELOB Q15370 1/20 0.37
MMP12 P39900 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
NOTUM Q6P988 1/20 0.33
SLC22A1 O15245 1/20 0.32
ABCB11 O95342 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
SCHEMBL2955006 0.72 LMNA (0.42) MAPTLMNAMEN1HTTKMT2A
SCHEMBL2955005 0.69 HSD17B3 (0.47) MAPTLMNAMEN1HTTKMT2A
SCHEMBL2047110 0.67 HSD17B3 (0.39) MAPTLMNAMEN1HTTKMT2A
SCHEMBL9943201 0.67 LMNA (0.36) MAPTLMNAMEN1HTTKMT2A
SCHEMBL10808494 0.66 LMNA (0.61) MAPTLMNAMEN1HTTKMT2A
SCHEMBL11369450 0.63 HSD17B3 (0.34) MAPTLMNAMEN1HTTKMT2A
Hydrochloric Acid SCHEMBL11381665 0.62 HSD17B3 (0.33) MAPTLMNAMEN1HTTKMT2A
SCHEMBL13864431 0.61 MAPT (0.50) MAPTMEN1HTTKMT2AHSD17B3
SCHEMBL10905860 0.61
SCHEMBL16470372 0.60 LMNA (0.40) MAPTLMNAMEN1KMT2ABCHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654323-A 2-NITROGEN-CONTAINING FUNCTIONAL GROUP-HALOBENZOTHIAZOLES; ANALGESICS; ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS; INHIBITORS OF CYTOKINES (INCLUDING TUMOR NECROSIS FACTOR) AND PHOSPHOLIPASE; SEPTIC SHOCK ADIR ET COMPAGNIE (FR) 1997-08-05 US disclosed
US-5597819-A ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-01-28 US disclosed
US-5550143-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 1996-08-27 US disclosed
EP-0572308-A2 Heterocyclic derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-12-01 EP disclosed