SCHEMBL841065

SCHEMBL841065

CC(CS)C(=O)NCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AGTR1 P30556 10/20 0.32
AGTR2 P50052 2/20 0.32
GAA P10253 3/20 0.32
LMNA P02545 3/20 0.30
KDM4E B2RXH2 2/20 0.30
FSHR P23945 1/20 0.30
ACE P12821 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR5 Q9H1C0 1/20 0.30
ABCB11 O95342 1/20 0.30
GP6 Q9HCN6 1/20 0.30
LTB4R2 Q9NPC1 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
SCHEMBL839507 1.00 MEN1 (0.39) MEN1KMT2AAGTR1AGTR2GAA
SCHEMBL839172 0.91 AGTR1 (0.37) MEN1KMT2AAGTR1AGTR2GAA
SCHEMBL840633 0.89 AGTR1 (0.37) AGTR1AGTR2ABCB11GP6LTB4R2
SCHEMBL840776 0.89 AGTR1 (0.37) AGTR1AGTR2ABCB11GP6LTB4R2
SCHEMBL839095 0.89 MEN1 (0.41) MEN1KMT2AAGTR1GAAACE
SCHEMBL841114 0.86 MEN1 (0.42) MEN1KMT2AGAALMNAKDM4E
SCHEMBL841047 0.86 MMP8 (0.41) MEN1KMT2A
SCHEMBL839515 0.83 MMP8 (0.41) MEN1KMT2A
SCHEMBL841272 0.82 AGTR1 (0.40) AGTR1AGTR2FSHRLTB4R2
SCHEMBL839257 0.81 AGTR1 (0.37) AGTR1AGTR2FSHRLTB4R2

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-8143298-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-03-27 US disclosed