SCHEMBL31051007

SCHEMBL31051007

CS(=O)(=O)c1ccc2cc(B(O)O)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.66
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.39
PTGS2 P35354 1/20 0.39
G6PD P11413 1/20 0.37
IDE P14735 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
KDM2B Q8NHM5 2/20 0.36

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
SCHEMBL12508320 0.82 AKR1C3 (0.58) ENPP2AKR1C3AKR1C2ATMLMNA
SCHEMBL8675 0.80 ENPP2 (1.00) ENPP2CA1CA2PTGS2
SCHEMBL6096 0.79 ENPP2 (0.61) ENPP2SMN1; SMN2GAA
SCHEMBL25281522 0.77 BRPF1 (0.48) ENPP2CA1CA2LMNASMN1; SMN2
SCHEMBL23247995 0.77 ENPP2 (0.50) ENPP2AKR1C3AKR1C2SMN1; SMN2
SCHEMBL205203 0.77 CA2 (0.80) ENPP2CA1CA2
SCHEMBL31354846 0.77 CA2 (0.80) ENPP2CA1CA2
SCHEMBL13203351 0.75 AKR1C3 (0.52) ENPP2AKR1C3AKR1C2ATMLMNA
SCHEMBL16968554 0.75 ENPP2 (0.88) ENPP2CA1CA2PTGS2
SCHEMBL8035317 0.75 ENPP2 (0.61) ENPP2AKR1C3AKR1C2ATMLMNA

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
CN-118715015-A Selective PHD1 inhibitor compounds, compositions and methods of use 阿克比治疗有限公司 2024-09-27 CN disclosed