SCHEMBL10399212

SCHEMBL10399212

O=C(/C=C/C=C(c1cccc(F)c1)c1cccc(F)c1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
GPR17 Q13304 2/20 0.42
P2RY2 P41231 1/20 0.42
MAPT P10636 2/20 0.42
HSPB1 P04792 2/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
ENPP2 Q13822 1/20 0.39
FFAR1 O14842 1/20 0.38
PTAFR P25105 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL10399215 1.00 KDM4E (0.43) KDM4EPOLBGPR17P2RY2MAPT
SCHEMBL10399068 0.93 PTAFR (0.47) KDM4EMAPTKMT2AGAAPTAFR
SCHEMBL10399067 0.93 PTAFR (0.47) KDM4EMAPTKMT2AGAAPTAFR
SCHEMBL10399282 0.93 MAOA (0.46) KDM4EMAPTKMT2AGAAPGR
SCHEMBL10399283 0.93 MAOA (0.46) KDM4EMAPTKMT2AGAAPGR
SCHEMBL10399220 0.93 MAOA (0.46) KDM4EMAPTKMT2AGAAPGR
SCHEMBL10399066 0.93 PTAFR (0.47) KDM4EMAPTKMT2AGAAPTAFR
SCHEMBL10399270 0.89 CES2 (0.49) KDM4EMAPTKMT2AGAAPTAFR
SCHEMBL10397707 0.89 CES2 (0.49) KDM4EMAPTKMT2AGAAPTAFR
SCHEMBL10399221 0.87 LMNA (0.45) KDM4EMAPTPKMKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed