SCHEMBL4010618

SCHEMBL4010618

O=C(Nc1ncc(Cc2ccc3ncsc3c2)s1)c1coc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.45
NPC1 O15118 9/20 0.45
MEN1 O00255 9/20 0.45
KMT2A Q03164 9/20 0.45
KDM4E B2RXH2 6/20 0.45
MAPT P10636 5/20 0.45
HPGD P15428 5/20 0.45
ALDH1A1 P00352 4/20 0.45
ABL1 P00519 8/20 0.44
LMNA P02545 8/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NFKB1 P19838 4/20 0.44
NFKB2 Q00653 4/20 0.44
RELA Q04206 4/20 0.44
TP53 P04637 3/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42

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
SCHEMBL13768618 0.85 RAB9A (0.45) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL13768209 0.83 SCD (0.51) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL13768201 0.83 RAB9A (0.52) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4015623 0.82 ATG4B (0.45) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4163968 0.82 NPC1 (0.51) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4015480 0.82 ABL1 (0.60) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4155044 0.81 RAB9A (0.46) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4009468 0.81 SCD (0.53) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4009339 0.81 NPC1 (0.48) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4010547 0.81 RAB9A (0.48) RAB9ANPC1MEN1KMT2AKDM4E

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