SCHEMBL4013216

SCHEMBL4013216

O=C(Nc1ccccc1)c1ccc(Cc2cnc(NC(=O)c3coc4ccccc34)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.53
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
TP53 P04637 3/20 0.50
MAOB P27338 2/20 0.49
ADORA2B P29275 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 5/20 0.48
ABL1 P00519 4/20 0.48
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL4011924 0.91 LMNA (0.53) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4012432 0.90 LMNA (0.52) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL13768812 0.90 LMNA (0.52) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL13768412 0.88 RAB9A (0.49) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4009261 0.88 LMNA (0.49) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4012136 0.87 NPC1 (0.51) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4015944 0.87 MAOB (0.53) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL13768201 0.87 RAB9A (0.52) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4016246 0.87 MEN1 (0.49) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4016206 0.86 MEN1 (0.49) LMNAMEN1KMT2AKDM4EALDH1A1

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-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed