SCHEMBL21670296

SCHEMBL21670296

CC(C)CNC(=O)N1CCCC(C(=O)Nc2ccc(Cl)c(F)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
RAB9A P51151 2/20 0.52
LMNA P02545 1/20 0.50
DUSP22 Q9NRW4 1/20 0.50
ALDH1A1 P00352 1/20 0.48
POLB P06746 3/20 0.48
MGLL Q99685 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL21669803 1.00 KMT2A (0.54) KMT2ARAB9ALMNADUSP22ALDH1A1
SCHEMBL21670420 0.91 RAB9A (0.47) KMT2ARAB9ALMNADUSP22ALDH1A1
SCHEMBL21670295 0.91 RAB9A (0.47) KMT2ARAB9ALMNADUSP22ALDH1A1
SCHEMBL21670282 0.89 RAB9A (0.54) RAB9ALMNAALDH1A1POLBMGLL
SCHEMBL21669802 0.89 RAB9A (0.54) RAB9ALMNAALDH1A1POLBMGLL
SCHEMBL21669801 0.87 RAB9A (0.53) RAB9ALMNAALDH1A1POLBMGLL
SCHEMBL21670298 0.87 RAB9A (0.53) RAB9ALMNAALDH1A1POLBMGLL
SCHEMBL21670357 0.87 KMT2A (0.52) KMT2ARAB9ALMNADUSP22POLB
SCHEMBL21670277 0.87 KMT2A (0.52) KMT2ARAB9ALMNADUSP22POLB
SCHEMBL21669960 0.86 ALDH1A1 (0.47) RAB9ALMNAALDH1A1POLBMGLL

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
WO-2020028482-A1 SMALL MOLECULES THAT SENSITIZE HIV-1 INFECTED CELLS TO ANTIBODY DEPENDENT CELLULAR CYTOTOXICITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-02-06 WO disclosed