SCHEMBL28439458

SCHEMBL28439458

O=C(O)c1c(-c2ccc([N+](=O)[O-])cc2)ccc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.49
▸ FBP1 P09467 1/20 0.48
▸ POLB P06746 3/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SRD5A2 P31213 1/20 0.45
▸ APP P05067 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.42
▸ CES1 P23141 2/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ AR P10275 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ GYS1 P13807 1/20 0.40

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
SCHEMBL3826317 0.80 TDP1 (0.62) TDP1POLBCA1CA2L3MBTL1
SCHEMBL6340501 0.79 MEN1 (0.54) FBP1POLBMAPK1APPAR
SCHEMBL27690206 0.77 ALDH1A1 (0.45) TDP1FBP1POLBMAPK1SRD5A2
SCHEMBL9754422 0.76 CA1 (0.48) TDP1POLBCA1CA2MAPK1
SCHEMBL28476433 0.76 GPR35 (0.52) TDP1FBP1POLBMAPK1APP
SCHEMBL28114101 0.75 CASP6 (0.50) TDP1POLBL3MBTL1SRD5A2CASP6
SCHEMBL11644545 0.74 LMNA (0.56) TDP1POLBCA1CA2MAPK1
SCHEMBL6302593 0.74 TDP1 (0.45) TDP1POLBCA1CA2MAPK1
SCHEMBL8654849 0.73 TDP1 (0.65) TDP1FBP1POLBL3MBTL1GPR35
SCHEMBL6536346 0.73 MYC (0.56) TDP1POLBMAPK1SRD5A2RAB9A

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-111522201-A Positive photosensitive resin composition, cured film prepared from positive photosensitive resin composition and electronic element 江苏三月科技股份有限公司 2020-08-11 — — CN disclosed
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