SCHEMBL6743594

SCHEMBL6743594

COc1ccc2ccccc2c1C(S)c1ccccc1C1=NCCCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 8/20 0.52
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
FGB P02675 1/20 0.38
ALOX15 P16050 1/20 0.38
TNNI3 P19429 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
BRCA1 P38398 1/20 0.38
TNNT2 P45379 1/20 0.38
CASP7 P55210 1/20 0.38
TNNC1 P63316 1/20 0.38
KMT2A Q03164 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RUVBL1 Q9Y265 1/20 0.37
MAPT P10636 1/20 0.35
ADRA2A P08913 1/20 0.34

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
Hydrochloric Acid SCHEMBL4910323 0.82 NISCH (0.46) NISCHGAATSHRRUVBL1ADRA2A
Formic Acid SCHEMBL4911274 0.80 NISCH (0.44) NISCHGAATSHRMEN1FGB
Hydrochloric Acid SCHEMBL4914061 0.78 MC4R (0.46) NISCHGAATSHRRUVBL1
SCHEMBL4357405 0.77 MAOB (0.39) NISCHGAATSHRRUVBL1
SCHEMBL4360835 0.76 NISCH (0.53) NISCHMEN1KMT2A
SCHEMBL4160968 0.74 NISCH (0.51) NISCHGAATSHRKMT2ARUVBL1
SCHEMBL4070597 0.74 NISCH (0.51) NISCHMEN1KMT2A
Formic Acid SCHEMBL4912238 0.73 RUVBL1 (0.43) NISCHGAATSHRRUVBL1MAPT
SCHEMBL1040607 0.72 MAPT (0.58) NISCHGAAMEN1FGBALOX15
SCHEMBL31413914 0.72 MAPT (0.58) NISCHGAAMEN1FGBALOX15

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-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 US disclosed