SCHEMBL5884478

SCHEMBL5884478

CON=Cc1ccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 3/20 0.38
HTT P42858 1/20 0.36
BPTF Q12830 1/20 0.35
HTR4 Q13639 1/20 0.35
CYP1A2 P05177 1/20 0.34
SLC2A1 P11166 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
CTSS P25774 1/20 0.33
PANK3 Q9H999 2/20 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
SCHEMBL5884125 0.91 HPGD (0.37) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884679 0.91 LMNA (0.41) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5883897 0.91 LMNA (0.41) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884195 0.89 KMT2A (0.41) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884620 0.89 HPGD (0.35) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884268 0.86 MEN1 (0.43) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884751 0.84 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884301 0.83 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884485 0.83 HPGD (0.38) SMN1; SMN2LMNAALDH1A1HPGDSLC2A1
SCHEMBL5884902 0.82 HPGD (0.38) HPGDSLC2A1PPARGPPARDPPARA

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