SCHEMBL13152811

SCHEMBL13152811

CC(OC(=O)Nc1ccc(-c2c(-c3noc(C4CC4)n3)c3ccc(O)cc3n2C2CCC2)cc1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36

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
SCHEMBL13152809 0.91 LMNA (0.36) SMN1; SMN2LMNAHTTGAAMAPT
SCHEMBL10096110 0.90 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAHTTNPSR1
SCHEMBL13152798 0.88 IDO1 (0.36) ALDH1A1KDM4EKIT
SCHEMBL12995280 0.87 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1LMNAHTTNPSR1
SCHEMBL13152794 0.86 F11 (0.34) GAA
SCHEMBL10096069 0.85 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1LMNAHTTNPSR1
SCHEMBL13152796 0.85 POLB (0.33) ALDH1A1POLBMEN1KMT2A
SCHEMBL12995107 0.83 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1LMNAHTTNPSR1
SCHEMBL13152787 0.82 HTR3A (0.32)
SCHEMBL13152823 0.82 IDO1 (0.36) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed