SCHEMBL9645668

SCHEMBL9645668

CC(Nc1ccccc1)OC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
GAA P10253 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KLK7 P49862 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 2/20 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
SCHEMBL8644889 0.83 TDP1 (0.48) TDP1GAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL11674110 0.80 HPGD (0.47) TDP1GAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8894140 0.79 TDP1 (0.44) TDP1GAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL11674473 0.79 TDP1 (0.44) TDP1GAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL988047 0.77 TGM2 (0.44) TDP1GAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL11674767 0.77 TDP1 (0.42) TDP1GAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL305727 0.77 ALDH1A1 (0.45) TDP1GAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL22089888 0.76 CA12 (0.39) TDP1GAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL10993427 0.76 GAA (0.49) TDP1GAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL11673040 0.76 GAA (0.41) TDP1GAASMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000030-B1 DIURETHANES CONTAINING SULPHUR, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1980-12-10 EP claimed
EP-0000030-A1 Diurethanes containing sulphur, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1978-12-20 EP claimed
US-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed