SCHEMBL8105870

SCHEMBL8105870

Nc1ccc(F)cc1C(=O)C1CC[N]C(N2CCCCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.39
KEAP1 Q14145 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HSD11B1 P28845 1/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 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
SCHEMBL8096353 0.80 ALDH1A1 (0.48) ALDH1A1KMT2AHSD11B1MAPTKDM4E
SCHEMBL8105872 0.78 KEAP1 (0.46) ALDH1A1KEAP1MEN1KMT2AHSD11B1
SCHEMBL4674606 0.75 KEAP1 (0.51) ALDH1A1KEAP1MEN1KMT2AHSD11B1
SCHEMBL5278682 0.75 KEAP1 (0.54) ALDH1A1KEAP1MEN1KMT2AHSD11B1
SCHEMBL1342200 0.73 KEAP1 (0.56) ALDH1A1KEAP1MEN1KMT2AHSD11B1
SCHEMBL8535843 0.73 KEAP1 (0.59) ALDH1A1KEAP1MEN1KMT2AHSD11B1
SCHEMBL8105681 0.72 L3MBTL3 (0.45) ALDH1A1MEN1KMT2AHSD11B1L3MBTL1
SCHEMBL11749982 0.71 HTR1F (0.52) ALDH1A1KEAP1KMT2AHSD11B1L3MBTL1
SCHEMBL8149178 0.70 MGLL (0.48) ALDH1A1MEN1KMT2AHSD11B1MAPT
SCHEMBL4674613 0.69 KEAP1 (0.53) KEAP1MEN1KMT2AHSD11B1HDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed