SCHEMBL23837378

SCHEMBL23837378

CS(=O)(=O)NCCCC(=O)N[C@H]1Cc2cccc(C(N)=O)c2OB1O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.40
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ APOB P04114 2/20 0.31
▸ MTTP P55157 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31

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
SCHEMBL17337294 0.91 CA12 (0.33) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL23129924 0.91 CA12 (0.33) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL17337133 0.85 RAB9A (0.35) PARP1MEN1ALDH1A1KMT2AAPOB
SCHEMBL17337541 0.85 RAB9A (0.35) PARP1MEN1ALDH1A1KMT2AAPOB
SCHEMBL23129662 0.84 KMT2A (0.32) KDM4EALDH1A1KMT2A
SCHEMBL17347818 0.84 KMT2A (0.32) KDM4EALDH1A1KMT2A
SCHEMBL17337192 0.81 TSHR (0.37) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL17337334 0.81 TSHR (0.37) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL23129992 0.81 TSHR (0.38) MAPTKDM4EALDH1A1
SCHEMBL17337419 0.81 TSHR (0.38) MAPTKDM4EALDH1A1

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-3882252-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-09-22 — — EP disclosed
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