SCHEMBL10909455

SCHEMBL10909455

O=[N+]([O-])c1cccc(OC(F)(F)Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
CASP3 P42574 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
ACHE P22303 1/20 0.44
F2 P00734 1/20 0.44
ALOX15 P16050 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL29469269 0.86 KMT2A (0.58) TSHRLMNAALDH1A1TDP1CHRNB2
SCHEMBL1130974 0.86 KMT2A (0.58) TSHRLMNAALDH1A1TDP1CHRNB2
SCHEMBL10513091 0.86 TSHR (0.55) TSHRLMNAALDH1A1TDP1CHRNB2
SCHEMBL27842046 0.83 TSHR (0.52) TSHRLMNAALDH1A1TDP1CHRNB2
SCHEMBL15228420 0.83 TSHR (0.52) TSHRLMNAALDH1A1TDP1CHRNB2
SCHEMBL27947180 0.83 KMT2A (0.52) TSHRLMNAALDH1A1TDP1CHRNB2
SCHEMBL9190260 0.82 TSHR (0.50) TSHRLMNAALDH1A1TDP1CHRNB2
SCHEMBL3278521 0.81 MEN1 (0.53) TSHRLMNAALDH1A1CHRNB2CHRNA4
SCHEMBL6983971 0.80 MEN1 (0.49) TSHRLMNAALDH1A1CHRNB2CHRNA4
SCHEMBL677718 0.79 TSHR (0.55) TSHRLMNAALDH1A1TDP1CHRNB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0124002-B1 PROCESS FOR THE PREPARATION OF AROMATIC COMPOUNDS CONTAINING PERFLUORINATED SIDE CHAINS LINKED BY A HETEROATOM BAYER AG (DE) 1986-11-12 EP disclosed
US-4600787-A Process for the preparation of aromatic compounds which contain perfluorinated side-chains bonded via a heteroatom BAYER AKTIENGESELLSCHAFT (DE) 1986-07-15 US disclosed
EP-0124002-A1 Process for the preparation of aromatic compounds containing perfluorinated side chains linked by a heteroatom BAYER AG (DE) 1984-11-07 EP disclosed