SCHEMBL30838569

SCHEMBL30838569

CC(C(=O)NN)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
CXCR2 P25025 3/20 0.45
CXCR1 P25024 2/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA9 Q16790 2/20 0.45
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
ENPP2 Q13822 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 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
SCHEMBL5674929 0.80 EPHX1 (0.53) AKR1C3AKR1C2CA12CA1CA2
SCHEMBL2653483 0.80 EPHX1 (0.53) AKR1C3AKR1C2CA12CA1CA2
SCHEMBL27536782 0.80 AKR1C3 (0.53) AKR1C3AKR1C2LMNATSHRMEN1
SCHEMBL5739656 0.78 MAPT (0.51) CXCR2CXCR1CYP3A4ALDH1A1GAA
SCHEMBL13723847 0.78 AKR1C3 (0.70) AKR1C3AKR1C2CXCR2CXCR1LMNA
SCHEMBL28202578 0.78 AKR1C3 (0.56) AKR1C3AKR1C2LMNATSHRMEN1
SCHEMBL28569065 0.78 CA12 (0.53) CA12CA1CA2CA4CA9
SCHEMBL2655181 0.77 AKR1C3 (0.47) AKR1C3AKR1C2CA12CA1CA2
SCHEMBL5739780 0.77 ALDH1A1 (0.57) CXCR2CXCR1KDM4EALDH1A1GAA
SCHEMBL6266741 0.76 CTSD (0.64) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024071629-A1 NOVEL FLUORENE DERIVATIVE COMPOUND AND USE THEREOF (주)제이디바이오사이언스 2024-04-04 WO disclosed