SCHEMBL8302682

SCHEMBL8302682

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nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
CASP1 P29466 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALOX15 P16050 1/20 0.31
ALDH1A1 P00352 2/20 0.31
FAAH O00519 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8302673 1.00 TDP1 (0.35) TDP1TSHRMAPTCACNA1BAPBA1
Hydrochloric Acid SCHEMBL8388839 0.98 TDP1 (0.34) TDP1TSHRMAPTCACNA1BAPBA1
Hydrochloric Acid SCHEMBL8388834 0.98 TDP1 (0.34) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL18159716 0.82 TDP1 (0.39) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL10049737 0.79 TDP1 (0.45) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL28287911 0.77 TDP1 (0.40) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL9313394 0.74 TDP1 (0.38) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL11079356 0.74 TDP1 (0.38) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL18756429 0.74 MAPT (0.38) TDP1TSHRMAPTCACNA1BAPBA1
SCHEMBL17324271 0.74 GFPT1 (0.45) MAPTCACNA1BAPBA1CASP1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833633-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-03-24 EP disclosed
EP-0833633-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-08 EP disclosed
WO-1996039137-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-12-12 WO disclosed