SCHEMBL11539232

SCHEMBL11539232

CCC(SC(CC)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.53
TSHR P16473 2/20 0.50
MAPT P10636 6/20 0.49
TDP1 Q9NUW8 4/20 0.49
ALDH1A1 P00352 4/20 0.49
POLB P06746 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 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 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE7A Q13946 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
SCHEMBL10438572 0.81 TSHR (0.53) ADRB2TSHRMAPTTDP1ALDH1A1
SCHEMBL9290109 0.80 ADRB2 (0.54) ADRB2TSHRMAPTTDP1ALDH1A1
SCHEMBL28990038 0.78 ADRB2 (0.49) ADRB2TSHRMAPTTDP1ALDH1A1
SCHEMBL10800795 0.78 ADRB2 (0.49) ADRB2TSHRMAPTTDP1ALDH1A1
SCHEMBL978898 0.77 TSHR (0.59) ADRB2TSHRMAPTTDP1ALDH1A1
SCHEMBL7604891 0.74 TSHR (0.56) ADRB2TSHRMAPTTDP1ALDH1A1
SCHEMBL20362349 0.74 TSHR (0.56) ADRB2TSHRMAPTTDP1ALDH1A1
SCHEMBL11572879 0.73 MAPT (0.49) ADRB2TSHRMAPTTDP1ALDH1A1
SCHEMBL16654104 0.72 TSHR (0.53) ADRB2TSHRMAPTTDP1ALDH1A1
SCHEMBL10607024 0.72 ADRB2 (0.59) ADRB2TSHRMAPTTDP1ALDH1A1

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-4154846-A ANTHELMINTICS E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed