SCHEMBL18950705

SCHEMBL18950705

CN(C)c1ccc(-c2cnc(-c3ccc(S(=O)(=O)NCCC(=O)NCCOCCOCCCCCCCl)cc3)n2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.38
SLC9A3 P48764 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 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
SCHEMBL997019 0.83 HTR6 (0.40) MAPTALDH1A1SLC9A3L3MBTL1HTT
SCHEMBL4433199 0.83 MAPT (0.39) MAPTALDH1A1SLC9A3L3MBTL1HTT
SCHEMBL16730754 0.70 HDAC1 (0.40)
SCHEMBL18677725 0.70 HDAC1 (0.30)
SCHEMBL18950706 0.63 HDAC1 (0.34) KMT2A
SCHEMBL23511351 0.62 FAAH (0.53) MAPTALDH1A1
SCHEMBL13056580 0.62 F2 (0.41) MAPTALDH1A1MEN1KMT2ASLC9A3
SCHEMBL23511352 0.62 MEN1 (0.47) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL30945265 0.62 MEN1 (0.47) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL15384767 0.61 SMN1; SMN2 (0.51) ALDH1A1L3MBTL1

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-3179252-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR Promega Corporation (US) 2017-06-14 EP disclosed