SCHEMBL27972201

SCHEMBL27972201

CCC(=O)c1ccc(OC)c(Cl)c1N

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE4D Q08499 2/20 0.39
HPGDS O60760 1/20 0.39
MAPK1 P28482 1/20 0.39
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL11460627 0.85 HMGCR (0.50) HMGCRLMNAMEN1KMT2AALDH1A1
SCHEMBL9645065 0.82 CA9 (0.49) HMGCRLMNAMEN1KMT2AALDH1A1
SCHEMBL313281 0.81 ALDH1A1 (0.54) LMNAMEN1KMT2AALDH1A1MAPK1
SCHEMBL312482 0.81 ALDH1A1 (0.46) LMNAMEN1KMT2AALDH1A1MAPK1
SCHEMBL314560 0.80 GAA (0.53) LMNAMEN1KMT2AALDH1A1PDE4D
SCHEMBL24069248 0.79 PDE4D (0.49) HMGCRLMNAMEN1KMT2APDE4D
SCHEMBL28299854 0.79 HMGCR (0.51) HMGCRLMNAMEN1KMT2AALDH1A1
SCHEMBL27787230 0.78 HSP90AB1 (0.49) HMGCRLMNAMEN1KMT2AALDH1A1
SCHEMBL17653405 0.77 CTSD (0.49) HMGCRLMNAMEN1KMT2AALDH1A1
SCHEMBL9720636 0.73 LMNA (0.65) HMGCRLMNAMEN1KMT2AALDH1A1

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
CN-101977915-B Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS INC (US) 2014-08-13 CN disclosed