SCHEMBL30993252

SCHEMBL30993252

COC(=O)c1ccc(F)c(Br)c1CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A4 P31645 1/20 0.36
POLB P06746 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 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
SCHEMBL19612048 1.00 ABL1 (0.38) ABL1CA12CA1CA2CA7
SCHEMBL8729538 0.85 CES2 (0.44) ABL1CA12CA1CA2CA7
SCHEMBL21199689 0.84 TSHR (0.46) CA12CA1CA2CA7CA9
SCHEMBL438452 0.83 CA1 (0.40) ABL1CA12CA1CA2CA7
SCHEMBL24718703 0.83 ABL1 (0.44) ABL1CA12CA1CA2CA7
SCHEMBL30798415 0.83 ABL1 (0.44) ABL1CA12CA1CA2CA7
SCHEMBL20594412 0.82 CES2 (0.40) ABL1CA12CA1CA2CA7
SCHEMBL31065601 0.82 CES2 (0.40) ABL1CA12CA1CA2CA7
SCHEMBL31072738 0.81 SOS1 (0.41) ABL1CA12CA1CA2CA7
SCHEMBL24717647 0.81 SOS1 (0.41) ABL1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137158-A1 DERIVATIVES OF ([1,2,4]TRIAZOLO[5,1-A]ISOQUINOLINE-5-CARBONYL)GLYCINATE AS PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
WO-2024130095-A9 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-08-02 WO disclosed
CN-118359538-A Isoquinoline compound, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-07-19 CN disclosed
WO-2024130095-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-20 WO disclosed