SCHEMBL21670299

SCHEMBL21670299

CCCNC(=O)N1CCCC(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.50
EPHX2 P34913 5/20 0.49
RHOA P61586 5/20 0.49
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
RHOC P08134 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL21670437 1.00 RAB9A (0.51) RAB9ALMNAEPHX2RHOAPOLB
SCHEMBL21670284 0.92 RAB9A (0.53) RAB9ALMNAEPHX2RHOAPOLB
SCHEMBL21670439 0.92 RAB9A (0.53) RAB9ALMNAEPHX2RHOAPOLB
SCHEMBL21670357 0.88 KMT2A (0.52) RAB9ALMNAEPHX2RHOAPOLB
SCHEMBL21670277 0.88 KMT2A (0.52) RAB9ALMNAEPHX2RHOAPOLB
SCHEMBL21670432 0.87 RAB9A (0.55) RAB9AEPHX2RHOARHOCMAPT
SCHEMBL21670286 0.87 RAB9A (0.55) RAB9AEPHX2RHOARHOCMAPT
SCHEMBL21670298 0.87 RAB9A (0.53) RAB9ALMNAPOLBGAA
SCHEMBL21669801 0.87 RAB9A (0.53) RAB9ALMNAPOLBGAA
SCHEMBL21669977 0.85 EPHX2 (0.64) RAB9ALMNAEPHX2RHOARHOC

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