SCHEMBL11526384

SCHEMBL11526384

C[Si](C)(C)CSc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPT P10636 7/20 0.49
TDP1 Q9NUW8 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
ADRB2 P07550 1/20 0.39
MCL1 Q07820 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GALR3 O60755 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL11524787 0.84 TSHR (0.43) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL18815092 0.83 TSHR (0.54) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL8515801 0.80 MAPT (0.57) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL11633022 0.80 TSHR (0.51) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL11326081 0.79 TSHR (0.50) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL11633347 0.79 TDP1 (0.49) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL11630340 0.79 TSHR (0.50) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL11833302 0.79 TSHR (0.50) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL31647016 0.79 TSHR (0.50) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL6678642 0.78 MEN1 (0.49) TSHRMAPTTDP1MEN1KMT2A

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-4136174-A ANTHELMINICS E. R. SQUIBB & SONS, INC. (US) 1979-01-23 US disclosed