SCHEMBL5884625

SCHEMBL5884625

CCON=Cc1cc(O)cc(OCCC2CCN(c3ccc(Cl)nn3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
BPTF Q12830 1/20 0.34
PANK3 Q9H999 5/20 0.34
GPR119 Q8TDV5 2/20 0.34
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
KCNH2 Q12809 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
SSTR2 P30874 1/20 0.32

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
SCHEMBL5884555 0.91 LMNA (0.36) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5883900 0.91 MEN1 (0.42) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884586 0.89 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884253 0.88 KMT2A (0.40) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5883827 0.88 KMT2A (0.40) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884102 0.87 MEN1 (0.46) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884910 0.84 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884554 0.84 MEN1 (0.39) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884125 0.82 HPGD (0.37) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884130 0.82 KMT2A (0.39) MEN1KMT2ASMN1; SMN2LMNAHTT

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