SCHEMBL8105872

SCHEMBL8105872

Nc1ccc(F)cc1C(=O)C1CCN(N2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
HSD11B1 P28845 4/20 0.46
ALDH1A1 P00352 9/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
GAA P10253 2/20 0.39
NPY2R P49146 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL5278682 0.86 KEAP1 (0.54) KEAP1HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL1342200 0.84 KEAP1 (0.56) KEAP1HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL8535843 0.84 KEAP1 (0.59) KEAP1HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL11749982 0.83 HTR1F (0.52) KEAP1HSD11B1ALDH1A1KMT2AHDAC3
SCHEMBL4674613 0.79 KEAP1 (0.53) KEAP1HSD11B1MEN1KMT2AHDAC3
SCHEMBL8105870 0.78 ALDH1A1 (0.39) KEAP1HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL4674606 0.77 KEAP1 (0.51) KEAP1HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL9870334 0.77 HSD11B1 (0.65) HSD11B1ALDH1A1GAAKDM4EPOLB
SCHEMBL8096357 0.76 ALDH1A1 (0.56) HSD11B1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL7920995 0.74 HDAC3 (0.48) KEAP1HSD11B1ALDH1A1MEN1KMT2A

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