SCHEMBL5884282

SCHEMBL5884282

CCON=Cc1ccc(OCCC2CCN(c3nc4ccccc4s3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PPARG P37231 5/20 0.44
PPARD Q03181 5/20 0.44
PPARA Q07869 4/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.43
LTA4H P09960 1/20 0.41
PDE10A Q9Y233 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL5884324 0.91 PPARG (0.46) KMT2AGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL5884212 0.81 RXFP1 (0.37) KMT2AALDH1A1MAPTSMN1; SMN2PPARG
SCHEMBL5884812 0.80 LMNA (0.43) KMT2AGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL5883844 0.79 MEN1 (0.38) KMT2AALDH1A1MAPTPPARGPPARD
SCHEMBL5884481 0.78 CTSS (0.39) KMT2AGAAMAPTPOLBPDE10A
SCHEMBL5884893 0.78 GPR119 (0.44) KMT2A
SCHEMBL5884738 0.77 BCHE (0.43) KMT2AALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL5883969 0.77 MAPT (0.39) KMT2AALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL5884766 0.76 NPY1R (0.41) KMT2AGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL5884866 0.76 OGA (0.40) KMT2AGAAALDH1A1MAPTSMN1; SMN2

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