SCHEMBL14439828

SCHEMBL14439828

CC(C)c1nc(COCc2ccccc2)n(Cc2ccccc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
VCP P55072 1/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.37
RECQL P46063 1/20 0.34
SLC5A2 P31639 1/20 0.34
DHODH Q02127 2/20 0.33
TACR1 P25103 1/20 0.33
MDM2 Q00987 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5AP P20292 1/20 0.31

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
SCHEMBL5853114 0.95 TDP1 (0.37) TDP1VCPTP53MAPTRECQL
SCHEMBL14439857 0.93 DHODH (0.39) TDP1TP53MAPTDHODHSMN1; SMN2
SCHEMBL6957630 0.93 DHODH (0.39) TDP1TP53MAPTDHODHSMN1; SMN2
SCHEMBL6966496 0.93 VCP (0.37) TDP1VCPTP53MAPTSLC5A2
SCHEMBL6974703 0.92 TDP1 (0.41) TDP1VCPTP53MAPTTACR1
SCHEMBL14439829 0.92 VCP (0.36) TDP1VCPTP53MAPTRECQL
SCHEMBL6965896 0.92 VCP (0.36) TDP1VCPTP53MAPTRECQL
SCHEMBL14439841 0.92 VCP (0.36) TDP1VCPTP53MAPTSLC5A2
SCHEMBL6960433 0.91 TDP1 (0.34) TDP1VCPTP53MAPTKMT2A
SCHEMBL6966431 0.90 TP53 (0.37) TDP1VCPTP53MAPTALOX5AP

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-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed