SCHEMBL11629397

SCHEMBL11629397

N#CSCSc1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 8/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE7A Q13946 2/20 0.38
MAPK1 P28482 1/20 0.38
DTYMK P23919 1/20 0.37
RECQL P46063 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL614284 0.80 TDP1 (0.53) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL11632618 0.78 ALDH1A1 (0.41) TDP1TSHRMAPTALDH1A1POLB
SCHEMBL11483675 0.77 MAPT (0.54) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL11962582 0.75 TDP1 (0.50) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL1538922 0.75 MAPT (0.56) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL3862471 0.74 APEX1 (0.50) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL11124749 0.74 TDP1 (0.49) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL3862467 0.74 APEX1 (0.50) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL11633347 0.74 TDP1 (0.49) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL11250876 0.74 TDP1 (0.49) TDP1TSHRMAPTLMNAALDH1A1

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-4080461-A PESTICIDES, FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1978-03-21 US disclosed
US-4002640-A ANTIFUNGAL AGENTS SYNTEX (U.S.A.) INC. (US) 1977-01-11 US disclosed