SCHEMBL13650862

SCHEMBL13650862

O=C(Oc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
RAB9A P51151 7/20 0.67
KMT2A Q03164 7/20 0.67
TP53 P04637 5/20 0.67
NPC1 O15118 5/20 0.67
TSHR P16473 4/20 0.67
ALDH1A1 P00352 3/20 0.67
PKM P14618 2/20 0.67
GAA P10253 1/20 0.65
NFKB1 P19838 1/20 0.65
GFER P55789 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
HDAC6 Q9UBN7 1/20 0.60
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 1/20 0.53
USP2 O75604 2/20 0.42
HPGD P15428 1/20 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
SCHEMBL5553141 0.83 SMN1; SMN2 (0.97) MAPTSMN1; SMN2RAB9AKMT2ATP53
SCHEMBL12692391 0.79 RAB9A (1.00) MAPTSMN1; SMN2RAB9AKMT2ATP53
Dimethylamine SCHEMBL8559714 0.78 SMN1; SMN2 (0.87) MAPTSMN1; SMN2RAB9AKMT2ATP53
SCHEMBL13650865 0.78 HDAC6 (0.76) MAPTSMN1; SMN2RAB9AKMT2ATP53
SCHEMBL3627340 0.75 HDAC6 (1.00) MAPTSMN1; SMN2RAB9AKMT2ATP53
SCHEMBL5553186 0.75 HDAC6 (0.76) MAPTSMN1; SMN2RAB9AKMT2ATP53
SCHEMBL5550051 0.73 HDAC6 (0.67) MAPTSMN1; SMN2RAB9AKMT2ATP53
SCHEMBL11358348 0.73 POLB (0.60) MAPTSMN1; SMN2RAB9AKMT2ATP53
SCHEMBL8407047 0.72 HDAC6 (0.74) MAPTSMN1; SMN2RAB9AKMT2ATP53
SCHEMBL5550021 0.72 HDAC6 (0.70) MAPTSMN1; SMN2RAB9AKMT2ATP53

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
US-7601846-B2 Compounds having activity as inhibitors of apoptosis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-13 US disclosed