SCHEMBL5884304

SCHEMBL5884304

CON=Cc1ccc(OCCC2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
HPGD P15428 2/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL5883844 0.91 MEN1 (0.38) HTTATMMEN1KMT2AALDH1A1
SCHEMBL5884261 0.87 PPARG (0.37) MEN1HRH3PPARGPPARDHPGD
SCHEMBL5884324 0.79 PPARG (0.46) KMT2AALDH1A1PPARGPPARDPPARA
SCHEMBL5884212 0.78 RXFP1 (0.37) MEN1KMT2AALDH1A1HRH3PPARG
SCHEMBL5884362 0.77 NR1I2 (0.38) HPGD
SCHEMBL5884475 0.76 TDP1 (0.41) HTTALDH1A1
SCHEMBL5884268 0.76 MEN1 (0.43) HTTMEN1KMT2AALDH1A1
SCHEMBL5884348 0.76 MAPT (0.37) HRH3
SCHEMBL5884624 0.75 GPR119 (0.44)
SCHEMBL5884262 0.74 GPR119 (0.37) KMT2AALDH1A1HRH3PPARGPPARD

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
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed