SCHEMBL27363433

SCHEMBL27363433

NC(=S)Sc1ccccc1.[BaH2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
TYR P14679 1/20 0.39
TAS2R38 P59533 1/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGLL Q99685 1/20 0.39
SIRT1 Q96EB6 1/20 0.36
CTSK P43235 1/20 0.36
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.33
FFAR1 O14842 1/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL4437065 0.97 HSD17B10 (0.41) ALDH1A1HSD17B10TSHRTP53TYR
SCHEMBL29006650 0.95 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTP53TYR
SCHEMBL28184253 0.95 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTP53TYR
SCHEMBL29006657 0.95 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTP53TYR
SCHEMBL27409571 0.95 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTP53TYR
Ammonia Solution, Strong SCHEMBL27692844 0.95 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTP53TYR
SCHEMBL3073488 0.76 MAPT (0.56) ALDH1A1HSD17B10TSHRTP53TYR
SCHEMBL11205281 0.76 MAPT (0.45) ALDH1A1HSD17B10TAS2R38MAPTHPGD
SCHEMBL3073259 0.76 MAPT (0.45) ALDH1A1HSD17B10TSHRTP53TYR
SCHEMBL28484036 0.75 SIRT1 (0.41) ALDH1A1HSD17B10TSHRTP53TYR

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
CN-1070911-C Lubricants with molybdenum containing compositions and method of using the same ELF ANTAR FRANCE (FR) 2001-09-12 CN disclosed
CN-1150971-A Lubricants with molybdenum containing compositions and method of using the same ELF ANTAR FRANCE (FR) 1997-06-04 CN disclosed