SCHEMBL5884597

SCHEMBL5884597

CON=C(C)c1ccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
F10 P00742 8/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTT P42858 1/20 0.38
HTR4 Q13639 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL5884771 0.85 MEN1 (0.41) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5883897 0.81 LMNA (0.41) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884721 0.78 MEN1 (0.42) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884679 0.78 LMNA (0.41) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884301 0.77 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884377 0.77 MEN1 (0.43) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884430 0.76 NR1I2 (0.39)
SCHEMBL5884478 0.74 MEN1 (0.40) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL9213845 0.72 MEN1 (0.47) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL5884652 0.72 MEN1 (0.41) MEN1KMT2ASMN1; SMN2LMNADRD2

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