SCHEMBL9768792

SCHEMBL9768792

O=C(c1cccc(C(=O)c2ccccc2Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
HPSE Q9Y251 1/20 0.52
FFAR1 O14842 1/20 0.51
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.49
SRD5A2 P31213 1/20 0.49
MEN1 O00255 1/20 0.49
F10 P00742 1/20 0.48
HSPB1 P04792 2/20 0.48
PYGL P06737 1/20 0.47
PYGM P11217 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL28087984 0.92 SRD5A2 (0.58) KDM4EHPSEFFAR1MAPTKMT2A
SCHEMBL9762879 0.83 KDM4E (0.61) KDM4EHPSEFFAR1MAPTKMT2A
SCHEMBL29918607 0.82 CTNNB1 (0.59) KDM4EHPSEMAPTKMT2AMEN1
SCHEMBL4452102 0.81 KMT2A (0.55) KDM4EHPSEFFAR1MAPTKMT2A
SCHEMBL9595021 0.81 SCN8A (0.48) HPSEMAPTKMT2AMEN1ALDH1A1
SCHEMBL9222770 0.80 CTNNB1 (0.49) HPSEMAPTKMT2AMEN1F10
SCHEMBL30646150 0.80 CTNNB1 (0.49) HPSEMAPTKMT2AMEN1F10
SCHEMBL9068240 0.80 HSPB1 (0.50) KDM4EFFAR1MAPTKMT2ASRD5A2
SCHEMBL10918802 0.80 CTNNB1 (0.66) KDM4EMAPTKMT2ASRD5A2MEN1
SCHEMBL11196888 0.80 SRD5A2 (0.55) KDM4EHPSEFFAR1MAPTKMT2A

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-5064933-A Benzophenone-type polyimides and their production ETHYL CORPORATION (US) 1991-11-12 US disclosed