SCHEMBL8172768

SCHEMBL8172768

COc1ccc(CCCl)cc1S(=O)(=O)NCC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ F10 P00742 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ USP2 O75604 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ ABCC9 O60706 1/20 0.42
▸ ABCC8 Q09428 1/20 0.42
▸ KCNJ11 Q14654 1/20 0.42

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
SCHEMBL8167206 0.77 PKM (0.51) CA12CA1CA2CA5ACA9
SCHEMBL8180786 0.76 TRPV4 (0.46) CA12CA1CA2CA5ACA9
SCHEMBL5171144 0.73 KMT2A (0.59) CA12CA9SMN1; SMN2ALDH1A1HTT
SCHEMBL3123431 0.71 SMN1; SMN2 (0.50) CA12CA1CA2CA5ACA9
SCHEMBL1967746 0.71 PKM (0.62) MAPTCA12CA1CA2CA5A
SCHEMBL3128947 0.70 SMN1; SMN2 (0.49) CA12CA1CA2CA5ACA9
SCHEMBL1332082 0.70 ATM (0.66) MAPTCA2SMN1; SMN2ALDH1A1
SCHEMBL9633696 0.69 SMN1; SMN2 (0.60) MAPTL3MBTL1SMN1; SMN2ALDH1A1USP2
SCHEMBL5960050 0.68 ALDH1A1 (0.77) MAPTCA12CA1CA2CA5A
SCHEMBL10864729 0.68 PKM (0.47) CA12CA1CA2CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090825-A Oxazole derivatives as antagonists of alpha 1C andrenergic receptors GLAXO WELLCOME INC. (US) 2000-07-18 — — US disclosed
EP-0793658-A1 OXAZOLE DERIVATIVES AS ANTAGONISTS OF ALPHA-1C ADRENERGIC RECEPTORS GLAXO WELLCOME INC. (US) 1997-09-10 — — EP disclosed
WO-1996016049-A1 OXAZOLE DERIVATIVES AS ANTAGONISTS OF α-1C ADRENERGIC RECEPTORS GLAXO WELLCOME INC. (US) 1996-05-30 — — WO disclosed
Send feedback