SCHEMBL11250876

SCHEMBL11250876

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.49
TSHR P16473 3/20 0.49
MAPT P10636 7/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
SIRT6 Q8N6T7 1/20 0.40
PDE7A Q13946 2/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38
DTYMK P23919 1/20 0.36

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
SCHEMBL11326081 0.88 TSHR (0.50) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL11447267 0.86 MAPT (0.40) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL11136486 0.83 PDE7A (0.38) TSHRMAPTALDH1A1PDE7AMAPK1
SCHEMBL11483675 0.83 MAPT (0.54) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL1538922 0.80 MAPT (0.56) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL31038411 0.78 MAPT (0.54) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL6677640 0.78 MAPT (0.54) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL914291 0.77 TDP1 (0.58) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL11962582 0.77 TDP1 (0.50) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL11652654 0.77 MAPT (0.55) TDP1TSHRMAPTALDH1A1LMNA

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-4328241-A ANTHELMINTICS E. R. SQUIBB & SONS, INC. (US) 1982-05-04 US disclosed
US-4217358-A ANTHELMINTIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1980-08-12 US disclosed