SCHEMBL5884632

SCHEMBL5884632

CCON=Cc1ccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
MAPT P10636 10/20 0.37
LMNA P02545 7/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 3/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPK1 P28482 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 2/20 0.34
HSP90AA1 P07900 1/20 0.34

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 0.87 HPGD (0.37) HPGDLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL5884301 0.86 SMN1; SMN2 (0.40) HPGDMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL5884253 0.82 KMT2A (0.40) MAPTLMNASMN1; SMN2L3MBTL1TDP1
SCHEMBL5883827 0.82 KMT2A (0.40) MAPTLMNASMN1; SMN2L3MBTL1TDP1
SCHEMBL5884586 0.81 SMN1; SMN2 (0.37) HPGDMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL5884620 0.80 HPGD (0.35) HPGDLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL5884576 0.79 MEN1 (0.37) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5884485 0.79 HPGD (0.38) HPGDMAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL5884625 0.78 MEN1 (0.39) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL5883897 0.78 LMNA (0.41) HPGDMAPTLMNASMN1; SMN2ALDH1A1

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