SCHEMBL8107414

SCHEMBL8107414

CC(=O)OC(c1ccccc1S(N)(=O)=O)C(C)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.41
CA2 P00918 13/20 0.41
CA9 Q16790 7/20 0.41
CA5A P35218 2/20 0.41
ALDH1A1 P00352 1/20 0.35
CA12 O43570 4/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CYP2C9 P11712 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
LDHA P00338 1/20 0.35
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL8111692 0.81 NSD2 (0.36) ALDH1A1LMNATSHRHSD17B10
SCHEMBL8641780 0.79
SCHEMBL8105741 0.79 CA1 (0.38) CA1CA2CA9CA5AALDH1A1
SCHEMBL9526580 0.78 CA1 (0.42) CA1CA2CA9CA5AALDH1A1
SCHEMBL8618669 0.77 CA1 (0.41) CA1CA2CA9CA5ACA12
SCHEMBL8640399 0.76 CA2 (0.30) CA1CA2CA9CA12
SCHEMBL9523787 0.71 CA1 (0.41) CA1CA2CA9CA5ACA12
SCHEMBL3284628 0.71 HTR2A (0.48) CA1CA2CA9CA5ACA12
SCHEMBL21826752 0.70 CA2 (0.50) CA1CA2CA9CA5ACA12
SCHEMBL1106519 0.70 CA1 (0.53) CA1CA2CA9CA5ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788486-B1 HERBICIDAL SULFONYL UREA DERIVATIVES KOREA RES INST CHEM TECH (KR) 2000-07-12 EP claimed
WO-1996012708-A1 HERBICIDAL SULFONYL UREA DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-05-02 WO claimed
EP-0788486-B1 HERBICIDAL SULFONYL UREA DERIVATIVES KOREA RES INST CHEM TECH (KR) 2000-07-12 EP disclosed
US-5736628-A HERBICIDE KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-04-07 US disclosed
WO-1996012708-A1 HERBICIDAL SULFONYL UREA DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-05-02 WO disclosed
US-5461025-A Herbicides KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-10-24 US disclosed