SCHEMBL28282385

SCHEMBL28282385

Fc1cc(F)c(Br)c(F)c1.O=S(=O)(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 1/20 0.33
TGM2 P21980 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
AGTR1 P30556 1/20 0.33
THRB P10828 1/20 0.32
ERN1 O75460 1/20 0.31
EPAS1 Q99814 1/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 1/20 0.30

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
SCHEMBL919665 0.84 KDM1A (0.42) KDM1AKDM1BCA1CA9TGM2
SCHEMBL28006505 0.82 CES2 (0.33) CES2CES1EPAS1
SCHEMBL6553272 0.81 KDM1A (0.41) KDM1AKDM1BCA1CA9TGM2
SCHEMBL1541882 0.78 CA1 (0.41) KDM1AKDM1BCA1CA2CA9
SCHEMBL27369528 0.78 CES2 (0.43) CA1CA2CA9TGM2CES2
SCHEMBL5052222 0.77 CES2 (0.35) CA1CA2CA9CES2CES1
SCHEMBL28280990 0.77 PTGES2 (0.35) CA1CA2CA9TGM2CES2
SCHEMBL1349378 0.76 EPAS1 (0.41) KDM1AKDM1BCA1CA2CA9
SCHEMBL544703 0.73 AGTR1 (0.45) CA1CA2CA9AGTR1EPAS1
SCHEMBL1500909 0.72 CA12 (0.36) CA1CA2TGM2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110325531-A Benzsulfamide and its purposes as therapeutic agent 泽农医药公司 2019-10-11 CN disclosed
CN-109526219-A Benzsulfamide and its purposes as therapeutic agent 泽农医药公司 2019-03-26 CN disclosed