SCHEMBL9067175

SCHEMBL9067175

CC(=O)Nc1ccn([C@H]2CO[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)S2)c(=O)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
SMYD2 Q9NRG4 3/20 0.36
POLB P06746 1/20 0.35
P2RY6 Q15077 2/20 0.34
P2RY14 Q15391 2/20 0.34
NT5E P21589 1/20 0.34
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.31
CYP3A4 P08684 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9067623 1.00 ABL1 (0.36) ABL1RIN1SMYD2POLBP2RY6
SCHEMBL9067499 1.00 ABL1 (0.36) ABL1RIN1SMYD2POLBP2RY6
SCHEMBL9067177 1.00 ABL1 (0.36) ABL1RIN1SMYD2POLBP2RY6
SCHEMBL16639166 0.92 ABL1 (0.46) ABL1RIN1SMYD2POLBP2RY6
SCHEMBL13881302 0.92 ABL1 (0.46) ABL1RIN1SMYD2POLBP2RY6
SCHEMBL9067474 0.84 SMYD2 (0.34) SMYD2P2RY6P2RY14NT5E
SCHEMBL9067397 0.84 SMYD2 (0.34) SMYD2P2RY6P2RY14NT5E
SCHEMBL9067138 0.84 SMYD2 (0.34) SMYD2P2RY6P2RY14NT5E
SCHEMBL5608279 0.84 POLB (0.43) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL13900107 0.84 POLB (0.43) ABL1RIN1POLBP2RY6P2RY14

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
US-5587480-A TREATING HIV AND HEPATITIS VIRUS INFECTIONS BIOCHEM PHARMA, INC. (CA) 1996-12-24 US claimed
US-5587480-A TREATING HIV AND HEPATITIS VIRUS INFECTIONS BIOCHEM PHARMA, INC. (CA) 1996-12-24 US disclosed