SCHEMBL8580495

SCHEMBL8580495

COc1c([N+](=O)[O-])ccc2scnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HTT P42858 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TXNRD1 Q16881 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35
TUBA1A Q71U36 2/20 0.35

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
SCHEMBL8581574 0.81 TDP1 (0.44) ALDH1A1TDP1HTTKMT2AMEN1
SCHEMBL2400631 0.79 MEN1 (0.54) ALDH1A1TDP1HTTKMT2AMEN1
SCHEMBL21681150 0.78 TDP1 (0.46) ALDH1A1TDP1HTTKMT2AMEN1
SCHEMBL8579724 0.78 MAPT (0.35) ALDH1A1TDP1HTTKMT2AMEN1
SCHEMBL28666281 0.78 MAPT (0.43) ALDH1A1TDP1HTTKMT2AMEN1
SCHEMBL8581078 0.77 TSHR (0.36) ALDH1A1TDP1HTTKMT2AMEN1
SCHEMBL7777578 0.73 PDE10A (0.50) ALDH1A1TDP1HTTKMT2AMEN1
SCHEMBL25347148 0.73 NQO2 (0.44) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20897727 0.69 PDE10A (0.61) ALDH1A1TDP1HTTKMT2AMEN1
SCHEMBL358770 0.68 TDP1 (0.61) ALDH1A1TDP1KMT2AMEN1SMN1; SMN2

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
WO-1998023612-A1 2-IMIDAZOLINYLAMINOBENZOTHIAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed