SCHEMBL25060790

SCHEMBL25060790

Nc1ncc(-c2ccc([S+]([O-])Nc3ccccc3)cc2F)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ PARP11 Q9NR21 6/20 0.43
▸ PARP10 Q53GL7 5/20 0.43
▸ FEN1 P39748 5/20 0.40
▸ MAPKAPK2 P49137 4/20 0.40
▸ ALOX5AP P20292 4/20 0.40
▸ PRF1 P14222 1/20 0.38
▸ GRM5 P41594 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL22580839 0.83 FEN1 (0.48) MAPK1PARP11PARP10FEN1MAPKAPK2
SCHEMBL25060598 0.82 MAPK1 (0.37) MAPK1PARP11PARP10FEN1MAPKAPK2
SCHEMBL18113016 0.82 MAPK1 (0.57) MAPK1PARP11PARP10FEN1MAPKAPK2
SCHEMBL25060796 0.81 MAPK1 (0.46) MAPK1PARP11PARP10FEN1ALOX5AP
SCHEMBL20091533 0.80 MAPK1 (0.59) MAPK1PARP11PARP10FEN1MAPKAPK2
SCHEMBL25060612 0.78 MAPK1 (0.55) MAPK1PARP11PARP10FEN1MAPKAPK2
SCHEMBL21062744 0.78 MAPK1 (0.49) MAPK1PARP11PARP10FEN1MAPKAPK2
SCHEMBL18113019 0.77 MAPK1 (0.52) MAPK1PARP11PARP10FEN1MAPKAPK2
SCHEMBL22580810 0.77 MAPK1 (0.50) MAPK1PARP11PARP10FEN1MAPKAPK2
SCHEMBL18113022 0.76 MAPK1 (0.55) MAPK1PARP11PARP10FEN1MAPKAPK2

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
EP-3724180-B1 COMPOUNDS FOR THE DEGRADATION OF STK4 AND TREATMENT OF HEMATOLOGIC MALIGNANCIES DANA FARBER CANCER INST INC (US) 2023-02-22 — — EP disclosed
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