SCHEMBL10399067

SCHEMBL10399067

COc1cccc(/C(=C/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 9/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
AHR P35869 1/20 0.46
ALDH1A1 P00352 7/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL10399066 1.00 PTAFR (0.47) PTAFRNPC1RAB9AMAPTKMT2A
SCHEMBL10399068 1.00 PTAFR (0.47) PTAFRNPC1RAB9AMAPTKMT2A
SCHEMBL10399282 0.94 MAOA (0.46) PTAFRNPC1RAB9AMAPTKMT2A
SCHEMBL10399220 0.94 MAOA (0.46) PTAFRNPC1RAB9AMAPTKMT2A
SCHEMBL10399283 0.94 MAOA (0.46) PTAFRNPC1RAB9AMAPTKMT2A
SCHEMBL10399397 0.94 MAPT (0.51) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL10399000 0.94 MAPT (0.51) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL10398998 0.94 MAPT (0.51) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL10399215 0.93 KDM4E (0.43) PTAFRMAPTKMT2AKDM4EGAA
SCHEMBL10399212 0.93 KDM4E (0.43) PTAFRMAPTKMT2AKDM4EGAA

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