SCHEMBL28501068

SCHEMBL28501068

COc1cc(Oc2ccc(F)cc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 6/20 0.62
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 3/20 0.46
MAPK14 Q16539 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TRPA1 O75762 1/20 0.41

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
SCHEMBL31009402 0.90 HSPB1 (0.63) HSPB1TDP1ATMALDH1A1MAPK14
SCHEMBL24750210 0.90 HSPB1 (0.63) HSPB1TDP1ATMALDH1A1MAPK14
SCHEMBL16792585 0.83 ALDH1A1 (0.49) HSPB1TDP1ATMALDH1A1L3MBTL1
SCHEMBL221284 0.82 ALDH1A1 (0.61) HSPB1TDP1ATMALDH1A1L3MBTL1
SCHEMBL29588929 0.82 ALDH1A1 (0.61) HSPB1TDP1ATMALDH1A1L3MBTL1
SCHEMBL10817393 0.82 ALDH1A1 (0.56) TDP1ALDH1A1L3MBTL1HTTMAPT
SCHEMBL3488024 0.82 HSPB1 (0.59) HSPB1TDP1ATMALDH1A1MAPK14
SCHEMBL4851442 0.81 TDP1 (0.65) HSPB1TDP1ATMALDH1A1L3MBTL1
SCHEMBL31009371 0.81 HSPB1 (0.53) HSPB1TDP1ATMALDH1A1L3MBTL1
SCHEMBL24750229 0.81 HSPB1 (0.53) HSPB1TDP1ATMALDH1A1L3MBTL1

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-109384784-B Sulfonamide derivative, preparation method thereof and application thereof in medicine 浙江海正药业股份有限公司 2021-01-12 CN disclosed