SCHEMBL28073333

SCHEMBL28073333

O=C(c1cccs1)c1cc(Oc2cccc(C(F)(F)F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ TTR P02766 2/20 0.48
▸ PPOX P50336 1/20 0.48
▸ EPAS1 Q99814 2/20 0.44
▸ MAPT P10636 4/20 0.43
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ VEGFA P15692 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PYGL P06737 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
SCHEMBL27343161 0.86 TDP1 (0.65) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11056890 0.85 TDP1 (0.53) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10853274 0.81 EPAS1 (0.55) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11303611 0.80 TDP1 (0.48) KMT2AMEN1TDP1TTRPPOX
SCHEMBL28259258 0.80 EPAS1 (0.54) KMT2AMEN1TDP1TTRPPOX
SCHEMBL8772383 0.79 EPAS1 (0.49) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11498163 0.79 EPAS1 (0.51) KMT2AMEN1TDP1TTRPPOX
SCHEMBL28075235 0.77 TDP1 (0.46) KMT2AMEN1TDP1TTRPPOX
SCHEMBL8505688 0.77 KMT2A (0.45) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10850140 0.75 EPAS1 (0.49) KMT2AMEN1TDP1TTRPPOX

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
CN-103443072-B Polymerizable composition comprising oxime sulfonate as thermal curing agent BASF SE (DE) 2016-05-18 — — CN disclosed
Send feedback