SCHEMBL9628075

SCHEMBL9628075

O=[N+]([O-])c1cccc(OCl)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
LMNA P02545 2/20 0.61
ALDH1A1 P00352 5/20 0.57
TDP1 Q9NUW8 1/20 0.57
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
ACHE P22303 1/20 0.52
ALOX15 P16050 1/20 0.52
F2 P00734 1/20 0.50
HSP90AA1 P07900 1/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL4203388 0.83 TSHR (0.67) TSHRLMNAALDH1A1TDP1CHRNB2
SCHEMBL6273333 0.82 TSHR (0.64) TSHRLMNAALDH1A1TDP1CHRNB2
SCHEMBL30043252 0.82 TSHR (0.64) TSHRLMNAALDH1A1TDP1CHRNB2
SCHEMBL28940575 0.80 TSHR (0.61) TSHRLMNAALDH1A1TDP1CHRNB2
SCHEMBL10948730 0.80 TSHR (0.61) TSHRLMNAALDH1A1TDP1CHRNB2
SCHEMBL535532 0.80 TSHR (0.61) TSHRLMNAALDH1A1TDP1CHRNB2
SCHEMBL30059246 0.80 LMNA (0.61) TSHRLMNAALDH1A1CHRNB2CHRNA4
SCHEMBL5609078 0.80 TSHR (0.61) TSHRLMNAALDH1A1TDP1CHRNB2
SCHEMBL9158141 0.80 ALDH1A1 (0.67) TSHRLMNAALDH1A1TDP1CHRNB2
SCHEMBL515302 0.80 LMNA (0.61) TSHRLMNAALDH1A1CHRNB2CHRNA4

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-5081296-A Fiber-Reactive Dyes Intermediates CIBA-GEIGY CORPORATION (US) 1992-01-14 US disclosed