SCHEMBL6979785

SCHEMBL6979785

Cc1noc(C)c1CC1CCCCC([N])N1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ATM Q13315 1/20 0.34
TAS2R8 Q9NYW2 5/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6969387 0.74 LMNA (0.34) ALDH1A1MEN1KMT2AATMTAS2R8
SCHEMBL6980296 0.65 GLA (0.42) ALDH1A1KMT2ALMNANPSR1SMN1; SMN2
SCHEMBL6978808 0.64
SCHEMBL6976719 0.62 POLB (0.59)
SCHEMBL22271029 0.62 ADAMTS4 (0.46) TAS2R8LMNA
SCHEMBL6977732 0.61 HSD17B10 (0.40) ALDH1A1MEN1KMT2AATMMAPT
SCHEMBL28931395 0.61 CRHBP (0.39) ALDH1A1MEN1KMT2ATAS2R8LMNA
SCHEMBL6979312 0.61 ALDH1A1 (0.31) ALDH1A1KMT2A
SCHEMBL6976712 0.61 USP2 (0.43) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL6979452 0.60 RAB9A (0.35) ALDH1A1L3MBTL1

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
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed