SCHEMBL469338

SCHEMBL469338

NC(=O)CCC(=O)SCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.55
NOS1 P29475 4/20 0.55
NOS3 P29474 1/20 0.55
NOS2 P35228 1/20 0.55
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SLC11A2 P49281 1/20 0.43
PAM P19021 1/20 0.42
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL12990509 0.82 L3MBTL1 (0.46) IDO1NOS1NOS3NOS2TDP1
SCHEMBL28889354 0.81 CA12 (0.52) IDO1NOS1NOS3NOS2TDP1
SCHEMBL28219587 0.79 MAPT (0.58) IDO1NOS1NOS3NOS2TDP1
SCHEMBL20113451 0.79 L3MBTL1 (0.53) IDO1NOS1NOS3NOS2TDP1
SCHEMBL4829383 0.79 IDO1 (0.58) IDO1NOS1NOS3NOS2TDP1
SCHEMBL1397310 0.78 IDO1 (0.65) IDO1NOS1NOS3NOS2TDP1
SCHEMBL6963636 0.78 TDP1 (0.59) IDO1NOS1NOS3NOS2TDP1
SCHEMBL11291081 0.78 CYP2C19 (0.70) IDO1NOS1NOS3NOS2TDP1
Ethylene SCHEMBL28219597 0.76 MAPT (0.55) IDO1NOS1NOS3NOS2TDP1
SCHEMBL3048336 0.76 TDP1 (0.79) IDO1NOS1NOS3NOS2TDP1

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-20120065123-A1 Synthetic Antibodies NATIONAL INSTITUTES OF HEALTH 2012-03-15 US disclosed