SCHEMBL23130227

SCHEMBL23130227

O=C(CCn1cccn1)NC1BOc2c(cccc2C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ THRB P10828 2/20 0.39
▸ NAMPT P43490 1/20 0.34
▸ SLC8A1 P32418 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TSHR P16473 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ GSK3B P49841 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
SCHEMBL23837606 0.84 ALDH1A1 (0.43) KMT2A
SCHEMBL17337059 0.80 KMT2A (0.41) KMT2ALMNAPOLBTHRBNAMPT
SCHEMBL17337055 0.80 KMT2A (0.41) KMT2ALMNAPOLBTHRBNAMPT
SCHEMBL23837552 0.75 MTNR1A (0.36) KMT2ANAMPT
SCHEMBL22474799 0.75 ALDH1A1 (0.35) —
SCHEMBL22474786 0.74 HPGD (0.40) KMT2APOLB
SCHEMBL20807130 0.72 PARP1 (0.40) LMNA
SCHEMBL23837455 0.72 TRPA1 (0.42) KMT2ALMNAPOLBTHRBTSHR
SCHEMBL18966760 0.70 PARP1 (0.34) —
SCHEMBL23130114 0.69 TSHR (0.37) KMT2ALMNAPOLBTSHR

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-3154989-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2021-03-24 — — EP disclosed
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