SCHEMBL13152809

SCHEMBL13152809

Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c3cc(O)ccc23)no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
RHOA P61586 1/20 0.34
MAPT P10636 4/20 0.33
MAPK14 Q16539 2/20 0.33
HTR1D P28221 1/20 0.33
HTR3A P46098 1/20 0.33
VDR P11473 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
P2RX3 P56373 1/20 0.32
RPS6KB1 P23443 1/20 0.32
LPAR1 Q92633 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL13152811 0.91 SMN1; SMN2 (0.38) LMNAHTTMAPTGAAMAPK1
SCHEMBL10096104 0.89 LMNA (0.38) LMNAHTTHPGDMAPTVDR
SCHEMBL13152794 0.89 F11 (0.34) CHRM2CHRM1CHRM3HTR3AVDR
SCHEMBL12995281 0.87 P2RX3 (0.36) LMNAHTTHPGDP2RX3
SCHEMBL13152823 0.87 IDO1 (0.36) MAPK14HTR1DHTR3ALPAR1GAA
SCHEMBL13152798 0.86 IDO1 (0.36) HPGDHTR3ANPC1RAB9A
SCHEMBL13152796 0.86 POLB (0.33) HTR3ALPAR1TP53
SCHEMBL10096068 0.85 LMNA (0.39) LMNAHTTHPGDMAPTVDR
SCHEMBL13152787 0.84 HTR3A (0.32) HTR3ALPAR1
SCHEMBL14466389 0.83 HTR3A (0.36) HTR3ALPAR1TP53

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
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed