SCHEMBL5884503

SCHEMBL5884503

Clc1ccc(N2CCC(COc3ccc(C=NOCc4ccccc4)cc3)CC2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PRMT5 O14744 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
AMY1A P0DUB6 1/20 0.37
TSHR P16473 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL5884564 0.91 MEN1 (0.42) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL5884266 0.87 KMT2A (0.41) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884533 0.85 LMNA (0.38) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884948 0.78 MEN1 (0.39) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL5884253 0.77 KMT2A (0.40) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL5883827 0.77 KMT2A (0.40) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL5884130 0.77 KMT2A (0.39) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL5884554 0.77 MEN1 (0.39) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL5884258 0.76 LMNA (0.36) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL5884463 0.76 CYP1A2 (0.37) MEN1KMT2ASMN1; 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